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

Systemtic Name: 4-[[5-(cyclopentylcarbonylamino)-1-(diphenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[[cyclopentyl(oxo)methyl]amino]-1-(diphenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C36H34N2O4 MolecularWeight: 558.66616

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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)NC(=O)C4CCCC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)NC(=O)C4CCCC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H34N2O4/c1-42-33-21-28(36(40)41)17-16-27(33)20-29-23-38(34(24-10-4-2-5-11-24)25-12-6-3-7-13-25)32-19-18-30(22-31(29)32)37-35(39)26-14-8-9-15-26/h2-7,10-13,16-19,21-23,26,34H,8-9,14-15,20H2,1H3,(H,37,39)(H,40,41)