methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(C(=O)C2)C(=O)OC)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(C(=O)C2)C(=O)OC)C#N)OC3CCCC3

InChI

InChI=1S/C21H25NO5/c1-25-18-8-7-14(11-19(18)27-15-5-3-4-6-15)21(13-22)10-9-16(17(23)12-21)20(24)26-2/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3