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

Systemtic Name: [2-(3-heptoxypyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(3-heptoxy-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(3-heptoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-heptoxypyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(3-heptoxy-4-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-13-20-30-26-21-28-19-18-24(26)23-15-10-11-16-25(23)31-27(29)17-12-9-14-22(3)5-2/h10-11,15-16,18-19,21-22H,4-9,12-14,17,20H2,1-3H3