(6-chloranylpyridin-3-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C18H18BrClN2O3 MolecularWeight: 425.70412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrClN2O3/c1-11(2)16(22-17(23)13-5-3-4-6-14(13)19)18(24)25-10-12-7-8-15(20)21-9-12/h3-9,11,16H,10H2,1-2H3,(H,22,23)/t16-/m0/s1