(2S)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: (2S)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: (2S)-2-benzyl-4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: (2S)-4-(2,5-dimethylanilino)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: (2S)-2-benzyl-4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: (2S)-2-benzyl-4-(2,5-dimethylanilino)-4-keto-butyrate Formula: C19H20NO3- MolecularWeight: 310.367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[C@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H21NO3/c1-13-8-9-14(2)17(10-13)20-18(21)12-16(19(22)23)11-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3,(H,20,21)(H,22,23)/p-1/t16-/m0/s1