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

Systemtic Name: [2-(3-butoxypyridin-4-yl)phenyl] 3-methylpentanoate Openeye Name: [2-(3-butoxy-4-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-(3-butoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-butoxypyridin-4-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(3-butoxy-4-pyridyl)phenyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

Isomeric SMILES

CCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

InChI

InChI=1S/C21H27NO3/c1-4-6-13-24-20-15-22-12-11-18(20)17-9-7-8-10-19(17)25-21(23)14-16(3)5-2/h7-12,15-16H,4-6,13-14H2,1-3H3