hexyl 6-(4-iodophenyl)-1,2-dimethyl-4-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: hexyl 6-(4-iodophenyl)-1,2-dimethyl-4-oxidanylidene-pyridine-3-carboxylate Openeye Name: hexyl 6-(4-iodophenyl)-1,2-dimethyl-4-oxo-pyridine-3-carboxylate CAS Name: 6-(4-iodophenyl)-1,2-dimethyl-4-oxo-3-pyridinecarboxylic acid hexyl ester IUPAC Name: hexyl 6-(4-iodophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylate Traditional Name: 6-(4-iodophenyl)-4-keto-1,2-dimethyl-nicotinic acid hexyl ester Formula: C20H24INO3 MolecularWeight: 453.31393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C(=CC1=O)C2=CC=C(C=C2)I)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C(=CC1=O)C2=CC=C(C=C2)I)C)C

InChI

InChI=1S/C20H24INO3/c1-4-5-6-7-12-25-20(24)19-14(2)22(3)17(13-18(19)23)15-8-10-16(21)11-9-15/h8-11,13H,4-7,12H2,1-3H3