[2-(2-ethylpyridin-4-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(2-ethylpyridin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(2-ethyl-4-pyridyl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(2-ethyl-4-pyridinyl)phenyl] ester IUPAC Name: [2-(2-ethylpyridin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(2-ethyl-4-pyridyl)phenyl] ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCC1=NC=CC(=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C22H29NO2/c1-4-17(3)10-6-9-13-22(24)25-21-12-8-7-11-20(21)18-14-15-23-19(5-2)16-18/h7-8,11-12,14-17H,4-6,9-10,13H2,1-3H3