ethyl 1-butyl-2-methyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 1-butyl-2-methyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-benzyl-1-butyl-6-hydroxy-2-methyl-4-oxo-pyridine-3-carboxylate CAS Name: 1-butyl-6-hydroxy-2-methyl-4-oxo-5-(phenylmethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-1-butyl-6-hydroxy-2-methyl-4-oxopyridine-3-carboxylate Traditional Name: 5-benzyl-1-butyl-6-hydroxy-4-keto-2-methyl-nicotinic acid ethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)C(=C1O)CC2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(=O)C(=C1O)CC2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C20H25NO4/c1-4-6-12-21-14(3)17(20(24)25-5-2)18(22)16(19(21)23)13-15-10-8-7-9-11-15/h7-11,23H,4-6,12-13H2,1-3H3