[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3/c1-14-9-10-15(2)18(11-14)21-19(22)13-24-20(23)12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,21,22)/t16-/m0/s1