(phenylmethyl) 2,6-dimethyl-4-oxidanylidene-1-propyl-pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 2,6-dimethyl-4-oxidanylidene-1-propyl-pyridine-3-carboxylate Openeye Name: benzyl 2,6-dimethyl-4-oxo-1-propyl-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-oxo-1-propyl-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxylate Traditional Name: 4-keto-2,6-dimethyl-1-propyl-nicotinic acid benzyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)C(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCN1C(=CC(=O)C(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO3/c1-4-10-19-13(2)11-16(20)17(14(19)3)18(21)22-12-15-8-6-5-7-9-15/h5-9,11H,4,10,12H2,1-3H3