3715 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 17 8 8 8 8 7 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 2 2 3 4 4 5 6 6 6 7 7 7 8 8 9 10 11 11 11 12 12 13 13 14 14 14 15 16 17 18 18 20 20 21 21 22 22 23 23 25 25 25 24 16 25 15 19 41 19 9 10 15 8 10 11 9 12 13 14 19 26 27 16 28 17 29 30 31 32 18 17 33 20 21 22 34 23 35 24 36 24 37 38 39 40 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 10.635 2.866 6.0531 6.3638 5.0746 6.4103 6.4103 5.4641 5.4641 6.9939 6.721 4.5981 4.5981 7.9939 6.721 3.732 3.732 7.6995 6.0531 8.0102 8.3673 8.9887 9.3458 9.6565 2 7.2679 7.1035 4.5981 4.5981 7.9939 8.6139 7.9939 3.1951 7.5961 8.1747 9.1813 9.7599 1.69 1.4631 2.31 5.9497 -2.9768 0.6033 -2.8962 3.0534 1.8967 -1.2014 0.4081 0.1033 -0.8967 -0.3967 1.3586 0.6033 -1.3967 -0.3967 -2.1519 0.1033 -0.8967 -2.3581 2.1029 -3.3087 -1.6138 -3.5149 -1.82 -2.7706 0.1033 1.0666 1.8465 1.2233 -2.0167 -1.0167 -0.3967 0.2233 -1.2067 -3.7701 -1.0245 -4.1042 -1.3586 0.6403 -0.2067 -0.4336 3.5149 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 9 12 13 16 18 18 20 21 22 23 9 10 8 10 9 12 13 16 17 17 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 506 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A380004000000000000000000000000016000000030600000000000005801F400001E02000800000C0E819E2232CEF30C1600A80325F25C00828820252720089821366ED80C26F2C5B79B84712864C411C8E987BCD9F39E84400100000200000880020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CGIGDMFJXJATDK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.0767857 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H16ClNO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.0767857 25 0 0 0 0 0 0 0 1 -1