[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-12(2)18(24-19(26)14-6-4-13(3)5-7-14)20(27)28-11-17(25)23-16-9-8-15(21)10-22-16/h4-10,12,18H,11H2,1-3H3,(H,24,26)(H,22,23,25)