2-(3-methylbutylamino)-4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(3-methylbutylamino)-4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(isopentylamino)-4-(2-methylanilino)-4-oxo-butanoic acid CAS Name: 4-(2-methylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-methylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid Traditional Name: 2-(isoamylamino)-4-keto-4-(o-toluidino)butyric acid Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC(C(=O)O)NCCC(C)C

InChI

InChI=1S/C16H24N2O3/c1-11(2)8-9-17-14(16(20)21)10-15(19)18-13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,19)(H,20,21)