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

Systemtic Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexene-1-carboxylic acid; methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexene-1-carboxylate Openeye Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid; methyl 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexenecarboxylic acid; 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylic acid; 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; 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid methyl ester Formula: C41H48N2O8 MolecularWeight: 696.82842

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H25NO4.C20H23NO4/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;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h7-9,13,17H,3-6,10-12H2,1-2H3;6-8,12,16H,2-5,9-11H2,1H3,(H,22,23)