[2-[3-(heptoxymethoxy)pyridin-4-yl]phenyl] 3-methylpentanoate

Systemtic Name: [2-[3-(heptoxymethoxy)pyridin-4-yl]phenyl] 3-methylpentanoate Openeye Name: [2-[3-(heptoxymethoxy)-4-pyridyl]phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-[3-(heptoxymethoxy)-4-pyridinyl]phenyl] ester IUPAC Name: [2-[3-(heptoxymethoxy)pyridin-4-yl]phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-[3-(heptoxymethoxy)-4-pyridyl]phenyl] ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCOCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

InChI

InChI=1S/C25H35NO4/c1-4-6-7-8-11-16-28-19-29-24-18-26-15-14-22(24)21-12-9-10-13-23(21)30-25(27)17-20(3)5-2/h9-10,12-15,18,20H,4-8,11,16-17,19H2,1-3H3