[5-ethyl-5-methyl-2-(4-methylpyridin-3-yl)-3-oxidanylidene-cyclohexen-1-yl] hexanoate

Systemtic Name: [5-ethyl-5-methyl-2-(4-methylpyridin-3-yl)-3-oxidanylidene-cyclohexen-1-yl] hexanoate Openeye Name: [5-ethyl-5-methyl-2-(4-methyl-3-pyridyl)-3-oxo-cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [5-ethyl-5-methyl-2-(4-methyl-3-pyridinyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-ethyl-5-methyl-2-(4-methylpyridin-3-yl)-3-oxocyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [5-ethyl-3-keto-5-methyl-2-(4-methyl-3-pyridyl)cyclohexen-1-yl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)CC)C2=C(C=CN=C2)C

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)CC)C2=C(C=CN=C2)C

InChI

InChI=1S/C21H29NO3/c1-5-7-8-9-19(24)25-18-13-21(4,6-2)12-17(23)20(18)16-14-22-11-10-15(16)3/h10-11,14H,5-9,12-13H2,1-4H3