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

Systemtic Name: [3-oxidanylidene-5-propan-2-yl-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate Openeye Name: [5-isopropyl-3-oxo-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate CAS Name: hexanoic acid [3-oxo-5-propan-2-yl-2-(3,5,6-trimethyl-2-pyrazinyl)-1-cyclohexenyl] ester IUPAC Name: [3-oxo-5-propan-2-yl-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] hexanoate Traditional Name: hexanoic acid [5-isopropyl-3-keto-2-(3,5,6-trimethylpyrazin-2-yl)cyclohexen-1-yl] ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-7-8-9-10-20(26)27-19-12-17(13(2)3)11-18(25)21(19)22-16(6)23-14(4)15(5)24-22/h13,17H,7-12H2,1-6H3