4-[4-[4-(4-chlorophenyl)butoxy]phenyl]butyl pyridine-3-carboxylate

Systemtic Name: 4-[4-[4-(4-chlorophenyl)butoxy]phenyl]butyl pyridine-3-carboxylate Openeye Name: 4-[4-[4-(4-chlorophenyl)butoxy]phenyl]butyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 4-[4-[4-(4-chlorophenyl)butoxy]phenyl]butyl ester IUPAC Name: 4-[4-[4-(4-chlorophenyl)butoxy]phenyl]butyl pyridine-3-carboxylate Traditional Name: nicotinic acid 4-[4-[4-(4-chlorophenyl)butoxy]phenyl]butyl ester Formula: C26H28ClNO3 MolecularWeight: 437.95842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCC2=CC=C(C=C2)OCCCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCC2=CC=C(C=C2)OCCCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H28ClNO3/c27-24-13-9-21(10-14-24)6-1-3-18-30-25-15-11-22(12-16-25)7-2-4-19-31-26(29)23-8-5-17-28-20-23/h5,8-17,20H,1-4,6-7,18-19H2