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

Systemtic Name: [2-(3-nonoxypyridin-4-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(3-nonoxy-4-pyridyl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(3-nonoxy-4-pyridinyl)phenyl] ester IUPAC Name: [2-(3-nonoxypyridin-4-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(3-nonoxy-4-pyridyl)phenyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C27H39NO3/c1-4-6-7-8-9-10-13-20-30-26-21-28-19-18-24(26)23-14-11-12-15-25(23)31-27(29)17-16-22(3)5-2/h11-12,14-15,18-19,21-22H,4-10,13,16-17,20H2,1-3H3