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

Systemtic Name: (3,4-dimethylphenyl) (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3,4-dimethylphenyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (3,4-dimethylphenyl) ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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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=CC=C2Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C20H22BrNO3/c1-12(2)18(22-19(23)16-7-5-6-8-17(16)21)20(24)25-15-10-9-13(3)14(4)11-15/h5-12,18H,1-4H3,(H,22,23)/t18-/m0/s1