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

Systemtic Name: 3-methoxy-4-[[6-(2-phenylethanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-[(2-phenylacetyl)amino]indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[(1-oxo-2-phenylethyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[(2-phenylacetyl)amino]indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-[(2-phenylacetyl)amino]indol-1-yl]methyl]benzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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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)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-31-23-14-19(25(29)30)7-8-20(23)16-27-12-11-18-9-10-21(15-22(18)27)26-24(28)13-17-5-3-2-4-6-17/h2-12,14-15H,13,16H2,1H3,(H,26,28)(H,29,30)