10810131 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 7 7 8 9 9 9 10 11 11 12 13 13 14 15 15 15 16 16 17 17 17 18 18 19 19 20 20 21 22 22 23 24 24 25 25 26 26 27 27 28 29 29 29 10 17 12 21 29 6 7 11 6 8 9 12 8 10 30 15 31 32 13 14 33 16 14 34 35 36 37 38 18 19 20 39 40 21 41 22 42 24 25 23 23 43 44 26 45 27 46 28 47 28 48 49 50 51 52 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 3.732 5.1871 8.4333 4.5981 6.1279 5.5443 4.5981 5.5443 7.1279 3.732 3.732 5.855 2.866 2.866 7.6279 6.8335 2.866 7.1441 7.5013 2.866 8.1226 8.4798 8.7905 2 3.732 2 3.732 2.866 9.4118 5.7369 7.0202 7.7105 3.732 2.3291 2.3291 8.1648 7.9379 7.091 2.2554 2.654 6.7301 7.3087 8.8939 9.3972 1.4631 4.269 1.4631 4.269 2.866 9.284 10.0185 9.5397 1.3875 -3.1121 -4.6813 -1.1125 -0.6125 -1.4173 -0.1125 0.1922 -0.6125 0.3875 -1.6125 -2.3678 -0.1125 -1.1125 0.2535 -2.574 1.8875 -3.5245 -1.8297 2.8875 -3.7307 -2.0359 -2.9864 3.3875 3.3875 4.3875 4.3875 4.8875 -4.8875 0.7815 -1.2231 -0.8246 -2.2325 0.1975 -1.4225 -0.0565 0.7904 0.5635 1.9951 1.3049 -3.986 -1.2404 -1.5744 -3.1143 3.0775 3.0775 4.6975 4.6975 5.5075 -5.4942 -5.0153 -4.2808 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 7 7 10 11 13 16 16 18 19 20 20 21 22 24 25 26 27 6 7 11 6 8 8 10 13 14 14 18 19 21 22 24 25 23 23 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 532 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CE19E063EC6B30C1C00A803B477440482882037622008D821BF6CD80E26F2C4B5BB873928E4C011D8E987BAD9F39E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (8-benzyloxy-2-ethyl-indolizin-3-yl)-(3-methoxyphenyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxy-3-indolizinyl)-(3-methoxyphenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-methoxyphenyl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-methoxyphenyl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxy-indolizin-3-yl)-(3-methoxyphenyl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (8-benzoxy-2-ethyl-indolizin-3-yl)-(3-methoxyphenyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H23NO3/c1-3-19-16-22-23(29-17-18-9-5-4-6-10-18)13-8-14-26(22)24(19)25(27)20-11-7-12-21(15-20)28-2/h4-16H,3,17H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HJSFFSPSSGRPEA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.16779360 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H23NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(N2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 39.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.16779360 29 0 0 0 0 0 0 0 1 -1