[4-(5-decoxypyridin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [4-(5-decoxypyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-decoxy-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-decoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-decoxypyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-decoxy-2-pyridyl)phenyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3/c1-4-6-7-8-9-10-11-12-21-31-26-18-19-27(29-22-26)24-14-16-25(17-15-24)32-28(30)20-13-23(3)5-2/h14-19,22-23H,4-13,20-21H2,1-3H3