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

Systemtic Name: [4-(5-decoxypyridin-2-yl)phenyl] 3-methylpentanoate Openeye Name: [4-(5-decoxy-2-pyridyl)phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(5-decoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-decoxypyridin-2-yl)phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(5-decoxy-2-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(C)CC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-12-19-30-25-17-18-26(28-21-25)23-13-15-24(16-14-23)31-27(29)20-22(3)5-2/h13-18,21-22H,4-12,19-20H2,1-3H3