[4-[6-(4-chlorophenyl)hexoxy]phenyl]methyl pyridine-3-carboxylate

Systemtic Name: [4-[6-(4-chlorophenyl)hexoxy]phenyl]methyl pyridine-3-carboxylate Openeye Name: [4-[6-(4-chlorophenyl)hexoxy]phenyl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[6-(4-chlorophenyl)hexoxy]phenyl]methyl ester IUPAC Name: [4-[6-(4-chlorophenyl)hexoxy]phenyl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[6-(4-chlorophenyl)hexoxy]benzyl] ester Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC2=CC=C(C=C2)OCCCCCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC2=CC=C(C=C2)OCCCCCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H26ClNO3/c26-23-12-8-20(9-13-23)6-3-1-2-4-17-29-24-14-10-21(11-15-24)19-30-25(28)22-7-5-16-27-18-22/h5,7-16,18H,1-4,6,17,19H2