2422023 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 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 1 2 2 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 23 23 24 24 26 26 26 27 27 27 28 28 28 10 18 27 25 26 5 7 11 6 10 8 9 8 12 29 14 17 13 15 30 16 31 19 20 18 32 16 33 34 21 35 22 23 36 24 37 22 38 39 25 40 25 41 28 42 43 44 45 46 47 48 49 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 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 49 6.0071 8.3015 2.3572 3.7717 4.7179 5.3015 3.7717 4.7179 6.3015 5.0286 2.9056 2.9056 4.3607 6.8015 2.0396 2.0396 6.8015 7.8015 4.6714 3.3822 7.8015 8.3015 4.0035 2.7144 3.025 2.6678 9.3015 2 4.9105 2.9056 2.9056 6.4915 1.5027 1.5027 6.4915 5.278 3.1896 8.1115 8.9215 4.1961 2.1077 3.0504 3.2148 9.3015 9.9215 9.3015 1.5385 1.5859 2.4615 0.3861 4.0797 -2.3848 1.8476 1.5429 2.3476 2.8476 3.1524 2.3476 0.5924 1.3476 3.3476 -0.1519 3.2136 1.8476 2.8476 1.4816 3.2136 -1.1025 0.0543 1.4816 2.3476 -1.8468 -0.69 -1.6405 -3.3354 4.0797 -4.0797 3.7417 0.7276 3.9676 3.7506 1.5376 3.1576 0.9447 -1.2303 0.6436 0.9447 2.3476 -2.4361 -0.5622 -3.8233 -3.0433 3.4597 4.0797 4.6997 -3.6656 -4.5411 -4.4937 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 6 7 7 9 9 11 12 13 13 14 15 17 18 19 20 21 23 24 5 7 11 6 8 8 12 14 17 15 16 19 20 18 16 21 22 23 24 22 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 516 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CE19E063EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB863928E4C011C8E98798DDF3DEA0000100000000004000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-ethoxyphenyl)-[2-(3-methoxyphenyl)-3-indolizinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-ethoxyphenyl)-[2-(3-methoxyphenyl)indolizin-3-yl]methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(3-methoxyphenyl)indolizin-3-yl]-p-phenetyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H21NO3/c1-3-28-20-12-10-17(11-13-20)24(26)23-22(16-19-8-4-5-14-25(19)23)18-7-6-9-21(15-18)27-2/h4-16H,3H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OFHOREHGXGEDTB-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 2021.10.14 371.15214353 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H21NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)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 2021.10.14 371.15214353 28 0 0 0 0 0 0 0 1 -1