(2R)-4-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2R)-4-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2R)-4-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-2-methyl-4-oxo-2-phenyl-butanoate CAS Name: (2R)-4-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-2-methyl-4-oxo-2-phenylbutanoate IUPAC Name: (2R)-4-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-2-methyl-4-oxo-2-phenylbutanoate Traditional Name: (2R)-4-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-4-keto-2-methyl-2-phenyl-butyrate Formula: C21H24NO3- MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-14-10-11-15(2)18(12-14)16(3)22-19(23)13-21(4,20(24)25)17-8-6-5-7-9-17/h5-12,16H,13H2,1-4H3,(H,22,23)(H,24,25)/p-1/t16-,21+/m0/s1