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

Systemtic Name: [2-(3-decoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(3-decoxy-4-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(3-decoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-decoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(3-decoxy-4-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-10-11-14-21-31-27-22-29-20-19-25(27)24-15-12-13-16-26(24)32-28(30)18-17-23(3)5-2/h12-13,15-16,19-20,22-23H,4-11,14,17-18,21H2,1-3H3