[4-(4-methylphenyl)carbonylphenyl] 6-(4-methylhexoxy)pyridine-3-carboxylate

Systemtic Name: [4-(4-methylphenyl)carbonylphenyl] 6-(4-methylhexoxy)pyridine-3-carboxylate Openeye Name: [4-(4-methylbenzoyl)phenyl] 6-(4-methylhexoxy)pyridine-3-carboxylate CAS Name: 6-(4-methylhexoxy)-3-pyridinecarboxylic acid [4-[(4-methylphenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-methylbenzoyl)phenyl] 6-(4-methylhexoxy)pyridine-3-carboxylate Traditional Name: 6-(4-methylhexoxy)nicotinic acid (4-p-toluoylphenyl) ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC1=NC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)CCCOC1=NC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H29NO4/c1-4-19(2)6-5-17-31-25-16-13-23(18-28-25)27(30)32-24-14-11-22(12-15-24)26(29)21-9-7-20(3)8-10-21/h7-16,18-19H,4-6,17H2,1-3H3