[2-(3-octoxypyridin-4-yl)phenyl] 3-methylpentanoate

Systemtic Name: [2-(3-octoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(3-octoxy-4-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-(3-octoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-octoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(3-octoxy-4-pyridyl)phenyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

InChI

InChI=1S/C25H35NO3/c1-4-6-7-8-9-12-17-28-24-19-26-16-15-22(24)21-13-10-11-14-23(21)29-25(27)18-20(3)5-2/h10-11,13-16,19-20H,4-9,12,17-18H2,1-3H3