[4-(5-butoxypyridin-2-yl)phenyl] 3-methylpentanoate

Systemtic Name: [4-(5-butoxypyridin-2-yl)phenyl] 3-methylpentanoate Openeye Name: [4-(5-butoxy-2-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(5-butoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butoxypyridin-2-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(5-butoxy-2-pyridyl)phenyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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