[2-(3-butoxypyridin-4-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(3-butoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-butoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-butoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-butoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-butoxy-4-pyridyl)phenyl] ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C24H33NO3/c1-4-6-17-27-23-18-25-16-15-21(23)20-12-8-9-13-22(20)28-24(26)14-10-7-11-19(3)5-2/h8-9,12-13,15-16,18-19H,4-7,10-11,14,17H2,1-3H3