[5-methyl-2-(4-methylpyridin-2-yl)-3-oxidanylidene-5-propan-2-yl-cyclohexen-1-yl] butanoate

Systemtic Name: [5-methyl-2-(4-methylpyridin-2-yl)-3-oxidanylidene-5-propan-2-yl-cyclohexen-1-yl] butanoate Openeye Name: [5-isopropyl-5-methyl-2-(4-methyl-2-pyridyl)-3-oxo-cyclohexen-1-yl] butanoate CAS Name: butanoic acid [5-methyl-2-(4-methyl-2-pyridinyl)-3-oxo-5-propan-2-yl-1-cyclohexenyl] ester IUPAC Name: [5-methyl-2-(4-methylpyridin-2-yl)-3-oxo-5-propan-2-ylcyclohexen-1-yl] butanoate Traditional Name: butyric acid [5-isopropyl-3-keto-5-methyl-2-(4-methyl-2-pyridyl)cyclohexen-1-yl] ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=O)CC(C1)(C)C(C)C)C2=NC=CC(=C2)C

Isomeric SMILES

CCCC(=O)OC1=C(C(=O)CC(C1)(C)C(C)C)C2=NC=CC(=C2)C

InChI

InChI=1S/C20H27NO3/c1-6-7-18(23)24-17-12-20(5,13(2)3)11-16(22)19(17)15-10-14(4)8-9-21-15/h8-10,13H,6-7,11-12H2,1-5H3