54207181 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 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 7 7 8 8 9 10 10 11 11 12 12 13 14 14 15 16 16 17 17 18 18 20 20 21 21 22 22 23 23 24 25 26 26 27 28 28 28 29 29 29 13 19 28 19 25 48 6 8 12 7 13 9 10 9 11 30 17 18 14 31 15 32 16 15 19 33 20 21 22 34 23 35 25 36 26 37 24 38 24 39 40 27 27 41 42 29 43 44 45 46 47 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 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 7.6995 2.866 2 3.4283 5.4641 6.4103 6.9939 5.4641 6.4103 7.9939 4.5981 4.5981 6.721 3.732 3.732 6.0531 8.4939 8.4939 2.866 5.0746 6.3638 9.4939 9.4939 9.9939 4.4068 5.696 4.7175 2 2 6.6029 4.5981 4.5981 3.1951 8.1839 8.1839 4.882 6.9705 9.8039 9.8039 10.6139 5.8886 4.3034 1.3894 1.788 2.62 2 1.38 3.0142 -1.6143 2.3472 0.8472 -2.4842 -0.1528 -0.4575 0.3472 0.8472 1.1519 0.3472 1.3472 -0.6528 -1.4081 0.8472 -0.1528 -2.1524 1.2132 -0.5188 1.3472 -1.9462 -3.1029 1.2132 -0.5188 0.3472 -2.6904 -3.8472 -3.641 2.8472 3.8472 1.7412 1.9672 -1.2728 -0.4628 1.7502 -1.0558 -1.3568 -3.2307 1.7502 -1.0558 0.3472 -4.4365 -4.1024 2.9548 2.2646 3.8472 4.4672 3.8472 -2.9457 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 5 6 7 8 8 10 10 11 12 14 16 16 17 18 20 21 22 23 25 26 6 8 12 7 9 9 11 17 18 14 15 15 20 21 22 23 25 26 24 24 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 587 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A38000000000000000000000000000001600000003C608000000000005801F400001E00000800000C0CE19E063ECEB30C1E00A803B4F74C0082802037222008D821BE6CD80826F2C2B5BB86710864C011C8F987BED9F39E80000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 3-(3-hydroxybenzoyl)-2-phenyl-indolizine-7-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(3-hydroxyphenyl)-oxomethyl]-2-phenyl-7-indolizinecarboxylic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 3-(3-hydroxybenzoyl)-2-phenylindolizine-7-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 3-(3-hydroxybenzoyl)-2-phenylindolizine-7-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 3-(3-hydroxyphenyl)carbonyl-2-phenyl-indolizine-7-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3-hydroxybenzoyl)-2-phenyl-indolizine-7-carboxylic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H19NO4/c1-2-29-24(28)18-11-12-25-19(13-18)15-21(16-7-4-3-5-8-16)22(25)23(27)17-9-6-10-20(26)14-17/h3-15,26H,2H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PTHUUCYRNSQHGE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.13140809 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H19NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)C1=CC2=CC(=C(N2C=C1)C(=O)C3=CC(=CC=C3)O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)C1=CC2=CC(=C(N2C=C1)C(=O)C3=CC(=CC=C3)O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.13140809 29 0 0 0 0 0 0 0 1 -1