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

Systemtic Name: 4-[[5-(2-cyclopentylethanoylamino)-1-(phenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-benzyl-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(2-cyclopentyl-1-oxoethyl)amino]-1-(phenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-benzyl-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-benzyl-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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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)CC4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)NC(=O)CC4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-37-29-17-24(31(35)36)12-11-23(29)16-25-20-33(19-22-9-3-2-4-10-22)28-14-13-26(18-27(25)28)32-30(34)15-21-7-5-6-8-21/h2-4,9-14,17-18,20-21H,5-8,15-16,19H2,1H3,(H,32,34)(H,35,36)