2-[4-[4-(4-chlorophenyl)butoxy]phenyl]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[4-[4-(4-chlorophenyl)butoxy]phenyl]ethyl pyridine-3-carboxylate Openeye Name: 2-[4-[4-(4-chlorophenyl)butoxy]phenyl]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[4-[4-(4-chlorophenyl)butoxy]phenyl]ethyl ester IUPAC Name: 2-[4-[4-(4-chlorophenyl)butoxy]phenyl]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[4-[4-(4-chlorophenyl)butoxy]phenyl]ethyl ester Formula: C24H24ClNO3 MolecularWeight: 409.90526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCC2=CC=C(C=C2)OCCCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCC2=CC=C(C=C2)OCCCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClNO3/c25-22-10-6-19(7-11-22)4-1-2-16-28-23-12-8-20(9-13-23)14-17-29-24(27)21-5-3-15-26-18-21/h3,5-13,15,18H,1-2,4,14,16-17H2