10832049 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 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 1 1 2 3 3 3 4 4 4 5 6 6 7 8 8 8 9 10 10 11 12 12 13 14 14 14 15 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 25 26 26 27 9 16 11 5 6 10 5 7 8 11 7 9 28 14 29 30 12 13 31 15 13 32 33 34 35 36 18 19 17 37 38 22 23 20 39 21 40 24 41 24 42 25 43 26 44 45 27 46 27 47 48 1 1 2 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 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 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 3.732 5.1871 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 2.866 7.1441 7.5013 8.1226 8.4798 3.732 2 8.7905 3.732 2 2.866 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 8.3152 8.8939 4.269 1.4631 9.3972 4.269 1.4631 2.866 0.8091 -3.6904 -1.6909 -1.1909 -1.9956 -0.6909 -0.3862 -1.1909 -0.1909 -2.1909 -2.9462 -0.6909 -1.6909 -0.3249 -3.1524 1.3091 2.3091 -4.1029 -2.4081 -4.3091 -2.6143 2.8091 2.8091 -3.5648 3.8091 3.8091 4.3091 0.2032 -1.8015 -1.403 -2.8109 -0.3809 -2.0009 -0.6349 0.2121 -0.0149 1.4168 0.7265 -4.5644 -1.8187 -4.8984 -2.1528 2.4991 2.4991 -3.6927 4.1191 4.1191 4.9291 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 6 6 9 10 12 15 15 17 17 18 19 20 21 22 23 25 26 5 6 10 5 7 7 9 12 13 13 18 19 22 23 20 21 24 24 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 481 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CE19E063EC6B30C1C00A803B477440482882037622008D821BF6CD80E26F2C4B5BB873928E4C011D8E987B8D9E39E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (8-benzyloxy-2-ethyl-indolizin-3-yl)-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxy-3-indolizinyl)-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxyindolizin-3-yl)-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxyindolizin-3-yl)-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxy-indolizin-3-yl)-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (8-benzoxy-2-ethyl-indolizin-3-yl)-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H21NO2/c1-2-19-16-21-22(27-17-18-10-5-3-6-11-18)14-9-15-25(21)23(19)24(26)20-12-7-4-8-13-20/h3-16H,2,17H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KMBCACZPOVKEHE-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 2021.10.14 355.157228913 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H21NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.4 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 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 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.157228913 27 0 0 0 0 0 0 0 1 -1