2-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid Openeye Name: 2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]methyl]benzoic acid IUPAC Name: 2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]benzoic acid Traditional Name: 2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]benzoic acid Formula: C25H20ClNO4 MolecularWeight: 433.8836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H20ClNO4/c1-15-21(13-17-5-3-4-6-20(17)25(29)30)22-14-19(31-2)11-12-23(22)27(15)24(28)16-7-9-18(26)10-8-16/h3-12,14H,13H2,1-2H3,(H,29,30)