3-methoxy-4-[[6-(3-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(3-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-(3-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[(1-oxo-3-phenylpropyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(3-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(hydrocinnamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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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)CCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4/c1-32-24-15-20(26(30)31)8-9-21(24)17-28-14-13-19-10-11-22(16-23(19)28)27-25(29)12-7-18-5-3-2-4-6-18/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,27,29)(H,30,31)