68117334 -OEChem-05132420542D 66 71 0 1 0 0 0 0 0999 V2000 6.3474 0.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6755 -3.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0794 0.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -2.2354 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4814 -1.7285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 -0.7285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7493 -1.7285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6153 -2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 -0.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 -0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 -3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -3.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 -3.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 -0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -3.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 -0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1408 -4.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -3.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -4.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 2.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0794 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0794 3.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 2.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 4.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 3.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 -2.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 0.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -1.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 -2.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 -0.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 -0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 0.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 0.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 0.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -3.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -3.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 -4.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -4.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 1.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 1.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 0.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 -0.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -0.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4269 -1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 -4.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4944 -4.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0014 2.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 2.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -4.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 -4.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7253 -3.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 1.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9455 4.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3484 2.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3484 4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 26 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 6 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 6 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 20 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 17 2 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 2 0 0 0 0 22 54 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 25 56 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 68117334 > 1 > 792 > 4 > 0 > 7 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8eIECAAAAAFix9AAAHgAAAAAADizhngYyzvMMFACoAyTyTACCiCAhIiAImCE+bJgOZvLEtZuXMChmwBnY6AeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > [(15S,19S)-15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaen-17-yl]methyl 2-phenylacetate > 2-phenylacetic acid [(15S,19S)-15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaen-17-yl]methyl ester > [(15S,19S)-15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaen-17-yl]methyl 2-phenylacetate > [(15S,19S)-15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaen-17-yl]methyl 2-phenylacetate > [(15S,19S)-15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaen-17-yl]methyl 2-phenylethanoate > 2-phenylacetic acid [(15S,19S)-15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaen-17-yl]methyl ester > InChI=1S/C29H32N2O3/c1-3-29-13-7-14-30-15-12-24-23-11-10-22(33-2)17-25(23)31(27(24)28(29)30)21(18-29)19-34-26(32)16-20-8-5-4-6-9-20/h4-6,8-11,17-18,28H,3,7,12-16,19H2,1-2H3/t28-,29+/m1/s1 > FSJOPBNMFTWEMO-WDYNHAJCSA-N > 5 > 456.24129289 > C29H32N2O3 > 456.6 > CCC12CCCN3C1C4=C(CC3)C5=C(N4C(=C2)COC(=O)CC6=CC=CC=C6)C=C(C=C5)OC > CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4C(=C2)COC(=O)CC6=CC=CC=C6)C=C(C=C5)OC > 43.7 > 456.24129289 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 18 8 18 19 8 18 23 8 19 22 8 22 24 8 23 25 8 24 25 8 29 30 8 29 31 8 30 32 8 31 33 8 32 34 8 33 34 8 5 19 8 5 8 8 6 12 6 7 35 6 8 14 8 $$$$