ethyl 2-[2-cyano-2-(2,5-dimethylphenyl)ethanoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-[2-cyano-2-(2,5-dimethylphenyl)ethanoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 2-[2-cyano-2-(2,5-dimethylphenyl)acetyl]cyclohexanecarboxylate CAS Name: 2-[2-cyano-2-(2,5-dimethylphenyl)-1-oxoethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-cyano-2-(2,5-dimethylphenyl)acetyl]cyclohexane-1-carboxylate Traditional Name: 2-[2-cyano-2-(2,5-dimethylphenyl)acetyl]cyclohexanecarboxylic acid ethyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1C(=O)C(C#N)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1CCCCC1C(=O)C(C#N)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H25NO3/c1-4-24-20(23)16-8-6-5-7-15(16)19(22)18(12-21)17-11-13(2)9-10-14(17)3/h9-11,15-16,18H,4-8H2,1-3H3