[2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] pyridine-3-carboxylate

Systemtic Name: [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] pyridine-3-carboxylate Openeye Name: [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] ester IUPAC Name: [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] ester Formula: C30H37NO3 MolecularWeight: 459.61968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC=C(C=C1)CCCCC2=CC=CC=C2)COC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(CCCCOC1=CC=C(C=C1)CCCCC2=CC=CC=C2)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C30H37NO3/c1-30(2,24-34-29(32)27-15-10-21-31-23-27)20-8-9-22-33-28-18-16-26(17-19-28)14-7-6-13-25-11-4-3-5-12-25/h3-5,10-12,15-19,21,23H,6-9,13-14,20,22,24H2,1-2H3