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

Systemtic Name: 6-[4-[6-(4-chlorophenyl)hexoxy]phenyl]hexyl pyridine-3-carboxylate Openeye Name: 6-[4-[6-(4-chlorophenyl)hexoxy]phenyl]hexyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 6-[4-[6-(4-chlorophenyl)hexoxy]phenyl]hexyl ester IUPAC Name: 6-[4-[6-(4-chlorophenyl)hexoxy]phenyl]hexyl pyridine-3-carboxylate Traditional Name: nicotinic acid 6-[4-[6-(4-chlorophenyl)hexoxy]phenyl]hexyl ester Formula: C30H36ClNO3 MolecularWeight: 494.06474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCCCC2=CC=C(C=C2)OCCCCCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCCCC2=CC=C(C=C2)OCCCCCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C30H36ClNO3/c31-28-17-13-25(14-18-28)10-5-1-3-7-22-34-29-19-15-26(16-20-29)11-6-2-4-8-23-35-30(33)27-12-9-21-32-24-27/h9,12-21,24H,1-8,10-11,22-23H2