methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexene-1-carboxylate

Systemtic Name: methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexene-1-carboxylate Openeye Name: methyl 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate Traditional Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=CC2)C(=O)OC)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=CC2)C(=O)OC)C#N)OC3CCCC3

InChI

InChI=1S/C21H25NO4/c1-24-18-8-7-16(13-19(18)26-17-5-3-4-6-17)21(14-22)11-9-15(10-12-21)20(23)25-2/h7-9,13,17H,3-6,10-12H2,1-2H3