3-methoxy-4-[[6-(2-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(2-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-(2-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[(1-oxo-2-phenylpropyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-(2-phenylpropanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(hydratropoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H24N2O4/c1-17(18-6-4-3-5-7-18)25(29)27-22-11-10-19-12-13-28(23(19)15-22)16-21-9-8-20(26(30)31)14-24(21)32-2/h3-15,17H,16H2,1-2H3,(H,27,29)(H,30,31)