ethanedioic acid; 3-(1H-indol-3-yl)-2-[(4-methylphenyl)carbonylamino]propanoic acid

Systemtic Name: ethanedioic acid; 3-(1H-indol-3-yl)-2-[(4-methylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)amino]propanoic acid; oxalic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid; oxalic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)amino]propanoic acid; oxalic acid Traditional Name: 3-(1H-indol-3-yl)-2-(p-toluoylamino)propionic acid; oxalic acid Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18N2O3.C2H2O4/c1-12-6-8-13(9-7-12)18(22)21-17(19(23)24)10-14-11-20-16-5-3-2-4-15(14)16;3-1(4)2(5)6/h2-9,11,17,20H,10H2,1H3,(H,21,22)(H,23,24);(H,3,4)(H,5,6)