6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl pyridine-3-carboxylate

Systemtic Name: 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl pyridine-3-carboxylate Openeye Name: 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl ester IUPAC Name: 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl pyridine-3-carboxylate Traditional Name: nicotinic acid 6-[4-(4-chlorobenzyl)oxyphenyl]hexyl ester Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCCCC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCCCC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl

InChI

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