10788819 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 53 54 55 56 57 58 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 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 1 1 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 10 11 11 12 12 13 13 14 15 15 15 16 16 17 17 18 18 19 19 19 20 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 31 31 32 32 33 9 19 10 4 6 11 5 10 7 8 7 9 34 15 35 36 13 12 14 37 16 17 14 38 39 40 41 42 18 20 21 43 24 25 23 44 45 22 46 22 47 48 26 27 28 49 29 50 31 51 32 52 30 53 30 54 55 33 56 33 57 58 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 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 49 50 51 52 53 54 55 56 57 58 3.732 5.1871 4.5981 5.5443 6.1279 4.5981 5.5443 7.1279 3.732 5.855 3.732 6.8335 2.866 2.866 7.6279 7.1441 7.5013 6.4763 2.866 8.1226 8.4798 8.7905 2.866 5.4978 6.787 2 3.732 4.8299 6.1191 5.1406 2 3.732 2.866 5.7369 7.0202 7.7105 3.732 2.3291 2.3291 8.1648 7.9379 7.091 7.3087 2.2554 2.654 8.3152 8.8939 9.3972 5.3052 7.3936 1.4631 4.269 4.2233 6.3117 4.7265 1.4631 4.269 2.866 1.9256 -2.574 -0.5744 -0.8792 -0.0744 0.4256 0.7303 -0.0744 0.9256 -1.8297 -1.0744 -2.0359 0.4256 -0.5744 0.7916 -2.9864 -1.2916 -3.7307 2.4256 -3.1926 -1.4978 -2.4484 3.4256 -3.5245 -4.6813 3.9256 3.9256 -4.2688 -5.4256 -5.2193 4.9256 4.9256 5.4256 1.3196 -0.685 -0.2865 -1.6944 0.7356 -0.8844 0.4816 1.3285 1.1016 -0.7023 2.5332 1.843 -3.782 -1.0364 -2.5762 -2.9352 -4.8091 3.6156 3.6156 -4.141 -6.0149 -5.6808 5.2356 5.2356 6.0456 8 8 8 8 8 8 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 5 6 6 9 11 12 12 13 16 17 18 18 20 21 23 23 24 25 26 27 28 29 31 32 4 6 11 5 7 7 9 13 14 16 17 14 20 21 24 25 22 22 26 27 28 29 31 32 30 30 33 33 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 623 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001600000003C60C100000000005801F400001E00000000000C0CE19E063EC6B30C1C00A803B477440482882037622008D821BF6CD80E26F2C4B5BB873928E4C011D8E987B8D9E39E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (8-benzyloxy-2-ethyl-indolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxy-3-indolizinyl)-(2-phenylphenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxyindolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-8-phenylmethoxy-indolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (8-benzoxy-2-ethyl-indolizin-3-yl)-(2-phenylphenyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C30H25NO2/c1-2-23-20-27-28(33-21-22-12-5-3-6-13-22)18-11-19-31(27)29(23)30(32)26-17-10-9-16-25(26)24-14-7-4-8-15-24/h3-20H,2,21H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DLGZKJSQBNEDNR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 8.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 431.188529040 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C30H25NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 431.5 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=C4C5=CC=CC=C5 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=C4C5=CC=CC=C5 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 2021.10.14 431.188529040 33 0 0 0 0 0 0 0 1 -1