[5,5-dimethyl-3-oxidanylidene-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate

Systemtic Name: [5,5-dimethyl-3-oxidanylidene-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [5,5-dimethyl-3-oxo-2-(3,5,6-trimethyl-2-pyrazinyl)-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-3-oxo-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [3-keto-5,5-dimethyl-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(N=C(C(=N2)C)C)C

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(N=C(C(=N2)C)C)C

InChI

InChI=1S/C21H30N2O3/c1-7-8-9-10-18(25)26-17-12-21(5,6)11-16(24)19(17)20-15(4)22-13(2)14(3)23-20/h7-12H2,1-6H3