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

Systemtic Name: 2-[2-(1H-indol-3-yl)ethylamino]-4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(1H-indol-3-yl)ethylamino]-4-(4-methylanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(1H-indol-3-yl)ethylamino]-4-(4-methylanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(1H-indol-3-yl)ethylamino]-4-(4-methylanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(1H-indol-3-yl)ethylamino]-4-keto-4-(p-toluidino)butyric acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3/c1-14-6-8-16(9-7-14)24-20(25)12-19(21(26)27)22-11-10-15-13-23-18-5-3-2-4-17(15)18/h2-9,13,19,22-23H,10-12H2,1H3,(H,24,25)(H,26,27)