[6-(phenylcarbonyl)pyridin-2-yl]methyl 2-(2-chloranylprop-2-enylamino)-3-methyl-butanoate

Systemtic Name: [6-(phenylcarbonyl)pyridin-2-yl]methyl 2-(2-chloranylprop-2-enylamino)-3-methyl-butanoate Openeye Name: (6-benzoyl-2-pyridyl)methyl 2-(2-chloroallylamino)-3-methyl-butanoate CAS Name: 2-(2-chloroprop-2-enylamino)-3-methylbutanoic acid (6-benzoyl-2-pyridinyl)methyl ester IUPAC Name: (6-benzoylpyridin-2-yl)methyl 2-(2-chloroprop-2-enylamino)-3-methylbutanoate Traditional Name: 2-(2-chloroallylamino)-3-methyl-butyric acid (6-benzoyl-2-pyridyl)methyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC(=N1)C(=O)C2=CC=CC=C2)NCC(=C)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC(=N1)C(=O)C2=CC=CC=C2)NCC(=C)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-14(2)19(23-12-15(3)22)21(26)27-13-17-10-7-11-18(24-17)20(25)16-8-5-4-6-9-16/h4-11,14,19,23H,3,12-13H2,1-2H3