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

Systemtic Name: 4-[[1-[(3-cyanophenyl)methyl]-5-(2-cyclopentylethanoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentyl-1-oxoethyl)amino]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-(3-cyanobenzyl)-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C32H31N3O4 MolecularWeight: 521.60624

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H31N3O4/c1-39-30-16-25(32(37)38)10-9-24(30)15-26-20-35(19-23-8-4-7-22(13-23)18-33)29-12-11-27(17-28(26)29)34-31(36)14-21-5-2-3-6-21/h4,7-13,16-17,20-21H,2-3,5-6,14-15,19H2,1H3,(H,34,36)(H,37,38)