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

Systemtic Name: 4-[[1-(diphenylmethyl)-5-methylsulfonyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(1-benzhydryl-5-methylsulfonyl-indol-3-yl)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-(diphenylmethyl)-5-methylsulfonyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(1-benzhydryl-5-methylsulfonylindol-3-yl)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(1-benzhydryl-5-mesyl-indol-3-yl)methyl]-3-methoxy-benzoic acid Formula: C31H27NO5S MolecularWeight: 525.61478

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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)S(=O)(=O)C)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)S(=O)(=O)C)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO5S/c1-37-29-18-24(31(33)34)14-13-23(29)17-25-20-32(28-16-15-26(19-27(25)28)38(2,35)36)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18-20,30H,17H2,1-2H3,(H,33,34)