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

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (6-chloro-3-pyridyl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O3/c1-12(2)17(22-18(23)15-7-5-4-6-13(15)3)19(24)25-11-14-8-9-16(20)21-10-14/h4-10,12,17H,11H2,1-3H3,(H,22,23)/t17-/m0/s1