67105901 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 1 2 3 3 4 5 5 5 6 6 7 7 8 8 9 10 10 11 11 12 12 13 14 15 16 16 17 17 19 19 20 20 21 22 22 23 23 24 24 25 25 25 26 26 27 27 28 29 29 29 13 22 14 18 25 18 6 8 11 7 14 9 10 9 12 30 16 17 13 31 15 32 15 18 33 19 34 20 35 21 36 21 37 38 23 24 26 39 27 40 29 41 42 28 43 28 44 45 46 47 48 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 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 4.5981 9.4315 8.0958 6.8067 7.1962 8.1424 8.726 7.1962 8.1424 9.726 6.3301 6.3301 5.4641 8.453 5.4641 10.226 10.226 7.7852 11.226 11.226 11.726 3.732 2.866 3.732 7.428 2 2.866 2 7.7387 8.335 6.3301 6.3301 4.9272 9.916 9.916 11.536 11.536 12.346 2.866 4.269 7.0454 6.8811 1.4631 2.866 1.4631 7.1494 7.9313 8.328 1.0724 0.111 -1.3776 -0.2209 1.5724 1.2677 2.0724 2.5724 2.8772 2.0724 1.0724 3.0724 1.5724 0.3172 2.5724 2.9385 1.2064 -0.4271 2.9385 1.2064 2.0724 1.5724 1.0724 2.5724 -2.1219 1.5724 3.0724 2.5724 -3.0724 3.4665 0.4524 3.6924 2.8824 3.4754 0.6695 3.4754 0.6695 2.0724 0.4524 2.8824 -1.634 -2.414 1.2624 3.6924 2.8824 -3.2651 -3.6618 -2.8798 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 13 16 17 19 20 22 22 23 24 26 27 6 8 11 7 9 9 12 16 17 13 15 15 19 20 21 21 23 24 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 567 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 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 00000371E07A38000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CE19E063ECEB30C1C00A803B4F74C0682882037622008D821FF6CD80E26FAC4B5BF873928E6C011D8E907B8C9F09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-oxo-2-(6-phenoxy-2-phenyl-indolizin-3-yl)acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-2-(6-phenoxy-2-phenyl-3-indolizinyl)acetic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-oxo-2-(6-phenoxy-2-phenylindolizin-3-yl)acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-oxo-2-(6-phenoxy-2-phenylindolizin-3-yl)acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-oxidanylidene-2-(6-phenoxy-2-phenyl-indolizin-3-yl)ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-keto-2-(6-phenoxy-2-phenyl-indolizin-3-yl)acetic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H19NO4/c1-2-28-24(27)23(26)22-21(17-9-5-3-6-10-17)15-18-13-14-20(16-25(18)22)29-19-11-7-4-8-12-19/h3-16H,2H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MSYVIKMSAIUOQF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.1 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)C(=O)C1=C(C=C2N1C=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)C(=O)C1=C(C=C2N1C=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57 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