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

Systemtic Name: [4-(5-heptoxypyridin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-heptoxy-2-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-heptoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyridin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-heptoxy-2-pyridyl)phenyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C25H35NO3/c1-4-6-7-8-9-18-28-23-15-16-24(26-19-23)21-11-13-22(14-12-21)29-25(27)17-10-20(3)5-2/h11-16,19-20H,4-10,17-18H2,1-3H3