[2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butyl] pyridine-3-carboxylate

Systemtic Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butyl] pyridine-3-carboxylate Openeye Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutyl] ester IUPAC Name: [2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyl] ester Formula: C24H24ClNO3 MolecularWeight: 409.90526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(COC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(COC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClNO3/c1-3-24(2,17-28-23(27)20-5-4-14-26-16-20)29-22-12-8-19(9-13-22)15-18-6-10-21(25)11-7-18/h4-14,16H,3,15,17H2,1-2H3