4-[[5-cyano-1-(diphenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-cyano-1-(diphenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(1-benzhydryl-5-cyano-indol-3-yl)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-cyano-1-(diphenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(1-benzhydryl-5-cyanoindol-3-yl)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(1-benzhydryl-5-cyano-indol-3-yl)methyl]-3-methoxy-benzoic acid Formula: C31H24N2O3 MolecularWeight: 472.53386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)C#N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)