[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C(C=C2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C(C=C2)C

InChI

InChI=1S/C20H22N2O4/c1-4-5-18(23)22-17-10-8-15(9-11-17)19(24)14(3)26-20(25)16-7-6-13(2)21-12-16/h6-12,14H,4-5H2,1-3H3,(H,22,23)