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

Systemtic Name: ethyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1=O)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CCOC(=O)C1CCC(CC1=O)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C22H27NO5/c1-3-27-21(25)17-10-11-22(14-23,13-18(17)24)15-8-9-19(26-2)20(12-15)28-16-6-4-5-7-16/h8-9,12,16-17H,3-7,10-11,13H2,1-2H3