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

Systemtic Name: [2-(3-heptoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(3-heptoxy-4-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-(3-heptoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-heptoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(3-heptoxy-4-pyridyl)phenyl] ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO3/c1-4-6-7-8-11-16-27-23-18-25-15-14-21(23)20-12-9-10-13-22(20)28-24(26)17-19(3)5-2/h9-10,12-15,18-19H,4-8,11,16-17H2,1-3H3