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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2Br

InChI

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