69684490 -OEChem-05132400322D 74 76 0 0 0 0 0 0 0999 V2000 3.9639 1.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 6.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 3.3202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 4.8088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -4.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 -4.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 -5.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 -3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 -6.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 -2.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -7.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 -1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 6.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4672 -8.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 6.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 8.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -4.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -5.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 -4.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -3.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 -6.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 -5.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 -2.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 -3.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 -6.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -6.8088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5891 -2.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7535 -2.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 -7.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 -7.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 3.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 4.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 7.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 -7.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0531 -8.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9286 -8.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 -0.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 -1.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 0.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 5.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 6.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 7.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 7.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 6.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 7.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 7.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 8.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 8.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 29 1 0 0 0 0 2 28 1 0 0 0 0 2 32 1 0 0 0 0 3 23 2 0 0 0 0 4 28 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 19 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 22 2 0 0 0 0 15 18 2 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 24 2 0 0 0 0 17 23 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 26 1 0 0 0 0 20 56 1 0 0 0 0 21 27 2 0 0 0 0 21 57 1 0 0 0 0 22 30 1 0 0 0 0 22 58 1 0 0 0 0 23 29 1 0 0 0 0 24 31 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 2 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 M END > 69684490 > 1 > 616 > 4 > 0 > 17 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAAAAAADAzhngYyzvMMFACoA6TyTAaCiCAnIiAI2CH+bNgOJvLEtb+HOSjmwBHY6YeY2eOeIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > butyl 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-2-carboxylate > 1-[3-(4-octylphenoxy)-2-oxopropyl]-2-indolecarboxylic acid butyl ester > butyl 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-2-carboxylate > butyl 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-2-carboxylate > butyl 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-2-carboxylate > 1-[2-keto-3-(4-octylphenoxy)propyl]indole-2-carboxylic acid butyl ester > InChI=1S/C30H39NO4/c1-3-5-7-8-9-10-13-24-16-18-27(19-17-24)35-23-26(32)22-31-28-15-12-11-14-25(28)21-29(31)30(33)34-20-6-4-2/h11-12,14-19,21H,3-10,13,20,22-23H2,1-2H3 > YBIOUXWLOWWIJS-UHFFFAOYSA-N > 9 > 477.28790873 > C30H39NO4 > 477.6 > CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=CC=CC=C3C=C2C(=O)OCCCC > CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=CC=CC=C3C=C2C(=O)OCCCC > 57.5 > 477.28790873 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 20 8 13 21 8 14 16 8 14 22 8 15 18 8 16 18 8 16 24 8 20 26 8 21 27 8 22 30 8 24 31 8 25 26 8 25 27 8 30 31 8 5 14 8 5 15 8 $$$$