6377614 -OEChem-05201302532D 74 76 0 1 0 0 0 0 0999 V2000 6.0607 3.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2363 3.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1165 0.3929 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1485 -2.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 4.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.7312 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3395 1.6801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 1.0923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7431 1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 1.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -0.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 -0.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 2.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4438 3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -3.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1380 3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -4.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 -2.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 3.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 4.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 1.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 2.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 2.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 0.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 0.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 0.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 3.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 2.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 2.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5151 3.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 3.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 3.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 2.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7455 -0.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5514 -0.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7455 -1.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5514 -1.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 1.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 3.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0580 4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 -2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 -2.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 -3.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 -4.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -5.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 -4.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7033 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9902 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0361 4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1605 4.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4336 2.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1690 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6465 2.8893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 2 0 0 0 0 3 19 1 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 11 18 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 17 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 16 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 47 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 21 24 2 0 0 0 0 21 54 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 58 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 M CHG 2 3 -1 6 1 M END > 6377614 > 1 > 760 > 5 > 1 > 11 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAQAAAADDzhmAYyBoPABACIAqFSEACCCAAgIAAIiIGODMgMZjqEsTuWOCjk1hGIqQec+K+OIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (E)-[1-[2-(diethylammonio)ethyl]-2-(4-isopropoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isopropoxyphenyl)methanolate > (E)-[1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(4-propan-2-yloxyphenyl)-3-pyrrolidinylidene]-(4-propan-2-yloxyphenyl)methanolate > (E)-[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(4-propan-2-yloxyphenyl)pyrrolidin-3-ylidene]-(4-propan-2-yloxyphenyl)methanolate > (E)-[1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)-2-(4-propan-2-yloxyphenyl)pyrrolidin-3-ylidene]-(4-propan-2-yloxyphenyl)methanolate > (E)-[1-[2-(diethylammonio)ethyl]-2-(4-isopropoxyphenyl)-4,5-diketo-pyrrolidin-3-ylidene]-(4-isopropoxyphenyl)methanolate > InChI=1S/C29H38N2O5/c1-7-30(8-2)17-18-31-26(21-9-13-23(14-10-21)35-19(3)4)25(28(33)29(31)34)27(32)22-11-15-24(16-12-22)36-20(5)6/h9-16,19-20,26,32H,7-8,17-18H2,1-6H3/b27-25+ > RSCNAEDGYRAPSE-IMVLJIQESA-N > 5.4 > 494.278072 > C29H38N2O5 > 494.62242 > CC[NH+](CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)[O-])C(=O)C1=O)C3=CC=C(C=C3)OC(C)C > CC[NH+](CC)CCN1C(/C(=C(/C2=CC=C(C=C2)OC(C)C)\[O-])/C(=O)C1=O)C3=CC=C(C=C3)OC(C)C > 83.3 > 494.278072 > 0 > 36 > 0 > 1 > 1 > 0 > 0 > 1 > 1 > 1 5 255 > 10 15 3 15 20 8 15 21 8 20 23 8 21 24 8 22 26 8 22 27 8 23 25 8 24 25 8 26 29 8 27 30 8 29 31 8 30 31 8 $$$$