2-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-4-phenylazanyl-butanoic acid

Systemtic Name: 2-[2-(1H-indol-3-yl)ethylamino]-4-oxidanylidene-4-phenylazanyl-butanoic acid Openeye Name: 4-anilino-2-[2-(1H-indol-3-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-anilino-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-anilino-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-anilino-2-[2-(1H-indol-3-yl)ethylamino]-4-keto-butyric acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O3/c24-19(23-15-6-2-1-3-7-15)12-18(20(25)26)21-11-10-14-13-22-17-9-5-4-8-16(14)17/h1-9,13,18,21-22H,10-12H2,(H,23,24)(H,25,26)