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

Systemtic Name: [2-(3-heptoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(3-heptoxy-4-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(3-heptoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-heptoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(3-heptoxy-4-pyridyl)phenyl] ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C25H35NO3/c1-4-6-7-8-11-18-28-24-19-26-17-16-22(24)21-12-9-10-13-23(21)29-25(27)15-14-20(3)5-2/h9-10,12-13,16-17,19-20H,4-8,11,14-15,18H2,1-3H3