[4-(2-cyanoethyl)cyclohexyl] 1-(4-butoxyphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(2-cyanoethyl)cyclohexyl] 1-(4-butoxyphenyl)cyclohexane-1-carboxylate Openeye Name: [4-(2-cyanoethyl)cyclohexyl] 1-(4-butoxyphenyl)cyclohexanecarboxylate CAS Name: 1-(4-butoxyphenyl)-1-cyclohexanecarboxylic acid [4-(2-cyanoethyl)cyclohexyl] ester IUPAC Name: [4-(2-cyanoethyl)cyclohexyl] 1-(4-butoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-butoxyphenyl)cyclohexanecarboxylic acid [4-(2-cyanoethyl)cyclohexyl] ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3CCC(CC3)CCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3CCC(CC3)CCC#N

InChI

InChI=1S/C26H37NO3/c1-2-3-20-29-23-15-11-22(12-16-23)26(17-5-4-6-18-26)25(28)30-24-13-9-21(10-14-24)8-7-19-27/h11-12,15-16,21,24H,2-10,13-14,17-18,20H2,1H3