4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-(3,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethylanilino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-(3,5-dimethylanilino)-4-keto-butyric acid Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C19H22N2O3/c1-13-8-14(2)10-16(9-13)21-18(22)11-17(19(23)24)20-12-15-6-4-3-5-7-15/h3-10,17,20H,11-12H2,1-2H3,(H,21,22)(H,23,24)