[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-3-4-11-21-15-9-6-5-8-14(15)19(25)26-13(2)18(24)23-16-10-7-12-22-17(16)20/h5-10,12-13,21H,3-4,11H2,1-2H3,(H,23,24)/t13-/m1/s1