4-[[6-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-[(2-cyclopentyl-2-phenyl-ethanoyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-[(2-cyclopentyl-2-phenyl-acetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-cyclopentyl-1-oxo-2-phenylethyl)amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-[(2-cyclopentyl-2-phenylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-[(2-cyclopentyl-2-phenyl-acetyl)amino]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)C(C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)C(C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4/c1-36-27-17-23(30(34)35)11-12-24(27)19-32-16-15-20-13-14-25(18-26(20)32)31-29(33)28(22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-18,22,28H,5-6,9-10,19H2,1H3,(H,31,33)(H,34,35)