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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CC(C)CC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-11-14-19-30-26-21-28-18-17-24(26)23-15-12-13-16-25(23)31-27(29)20-22(3)5-2/h12-13,15-18,21-22H,4-11,14,19-20H2,1-3H3