(5-methyl-3-oxidanylidene-5-propan-2-yl-2-pyrazin-2-yl-cyclohexen-1-yl) pentanoate

Systemtic Name: (5-methyl-3-oxidanylidene-5-propan-2-yl-2-pyrazin-2-yl-cyclohexen-1-yl) pentanoate Openeye Name: (5-isopropyl-5-methyl-3-oxo-2-pyrazin-2-yl-cyclohexen-1-yl) pentanoate CAS Name: pentanoic acid [5-methyl-3-oxo-5-propan-2-yl-2-(2-pyrazinyl)-1-cyclohexenyl] ester IUPAC Name: (5-methyl-3-oxo-5-propan-2-yl-2-pyrazin-2-ylcyclohexen-1-yl) pentanoate Traditional Name: valeric acid (5-isopropyl-3-keto-5-methyl-2-pyrazin-2-yl-cyclohexen-1-yl) ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-5-6-7-17(23)24-16-11-19(4,13(2)3)10-15(22)18(16)14-12-20-8-9-21-14/h8-9,12-13H,5-7,10-11H2,1-4H3