methyl 5-cyano-5-(2,5-dipropylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(2,5-dipropylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(2,5-dipropylphenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(2,5-dipropylphenyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(2,5-dipropylphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-(2,5-dipropylphenyl)-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)CCC)C2(CCC(=O)C(C2)C(=O)OC)C#N

Isomeric SMILES

CCCC1=CC(=C(C=C1)CCC)C2(CCC(=O)C(C2)C(=O)OC)C#N

InChI

InChI=1S/C21H27NO3/c1-4-6-15-8-9-16(7-5-2)18(12-15)21(14-22)11-10-19(23)17(13-21)20(24)25-3/h8-9,12,17H,4-7,10-11,13H2,1-3H3