[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H20N2O4/c1-13(2)10-18(23)21-16-7-5-14(6-8-16)17(22)12-25-19(24)15-4-3-9-20-11-15/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)