[2-(4-cyano-2-methyl-phenyl)-4-methyl-3-oxidanylidene-cyclopenten-1-yl] heptanoate

Systemtic Name: [2-(4-cyano-2-methyl-phenyl)-4-methyl-3-oxidanylidene-cyclopenten-1-yl] heptanoate Openeye Name: [2-(4-cyano-2-methyl-phenyl)-4-methyl-3-oxo-cyclopenten-1-yl] heptanoate CAS Name: heptanoic acid [2-(4-cyano-2-methylphenyl)-4-methyl-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(4-cyano-2-methylphenyl)-4-methyl-3-oxocyclopenten-1-yl] heptanoate Traditional Name: enanthic acid [2-(4-cyano-2-methyl-phenyl)-3-keto-4-methyl-cyclopenten-1-yl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C(C(=O)C(C1)C)C2=C(C=C(C=C2)C#N)C

Isomeric SMILES

CCCCCCC(=O)OC1=C(C(=O)C(C1)C)C2=C(C=C(C=C2)C#N)C

InChI

InChI=1S/C21H25NO3/c1-4-5-6-7-8-19(23)25-18-12-15(3)21(24)20(18)17-10-9-16(13-22)11-14(17)2/h9-11,15H,4-8,12H2,1-3H3