[5-ethyl-2-(4-methoxypyridin-2-yl)-5-methyl-3-oxidanylidene-cyclohexen-1-yl] pentanoate

Systemtic Name: [5-ethyl-2-(4-methoxypyridin-2-yl)-5-methyl-3-oxidanylidene-cyclohexen-1-yl] pentanoate Openeye Name: [5-ethyl-2-(4-methoxy-2-pyridyl)-5-methyl-3-oxo-cyclohexen-1-yl] pentanoate CAS Name: pentanoic acid [5-ethyl-2-(4-methoxy-2-pyridinyl)-5-methyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-ethyl-2-(4-methoxypyridin-2-yl)-5-methyl-3-oxocyclohexen-1-yl] pentanoate Traditional Name: valeric acid [5-ethyl-3-keto-2-(4-methoxy-2-pyridyl)-5-methyl-cyclohexen-1-yl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=O)CC(C1)(C)CC)C2=NC=CC(=C2)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C(=O)CC(C1)(C)CC)C2=NC=CC(=C2)OC

InChI

InChI=1S/C20H27NO4/c1-5-7-8-18(23)25-17-13-20(3,6-2)12-16(22)19(17)15-11-14(24-4)9-10-21-15/h9-11H,5-8,12-13H2,1-4H3