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

Systemtic Name: [2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 6-methyloctanoate Openeye Name: [2-[3-(heptoxymethyl)-4-pyridyl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-[3-(heptoxymethyl)-4-pyridinyl]phenyl] ester IUPAC Name: [2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-[3-(heptoxymethyl)-4-pyridyl]phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOCC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-13-20-31-22-24-21-29-19-18-25(24)26-15-10-11-16-27(26)32-28(30)17-12-9-14-23(3)5-2/h10-11,15-16,18-19,21,23H,4-9,12-14,17,20,22H2,1-3H3