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

Systemtic Name: (2S)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(2,4-dimethylanilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-(2,4-dimethylanilino)-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(2,4-dimethylanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(2,4-dimethylanilino)-4-keto-2-phenyl-butyrate Formula: C18H18NO3- MolecularWeight: 296.34042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-12-8-9-16(13(2)10-12)19-17(20)11-15(18(21)22)14-6-4-3-5-7-14/h3-10,15H,11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t15-/m0/s1