[4-(3-oxidanylidenebutyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] pyridine-3-carboxylate Openeye Name: [4-(3-oxobutyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(3-ketobutyl)phenyl] ester Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H15NO3/c1-12(18)4-5-13-6-8-15(9-7-13)20-16(19)14-3-2-10-17-11-14/h2-3,6-11H,4-5H2,1H3