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

Systemtic Name: (3-cyanophenyl)methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-cyanophenyl)methyl (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid (3-cyanobenzyl) ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H19BrN2O3/c1-13(2)18(23-19(24)16-6-8-17(21)9-7-16)20(25)26-12-15-5-3-4-14(10-15)11-22/h3-10,13,18H,12H2,1-2H3,(H,23,24)/t18-/m0/s1