(3,4-dimethylphenyl) (2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3,4-dimethylphenyl) (2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3,4-dimethylphenyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butyric acid (3,4-dimethylphenyl) ester Formula: C20H22FNO3 MolecularWeight: 343.391983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO3/c1-12(2)18(22-19(23)15-6-8-16(21)9-7-15)20(24)25-17-10-5-13(3)14(4)11-17/h5-12,18H,1-4H3,(H,22,23)/t18-/m0/s1