phenyl 4-cyano-4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-cyano-4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-cyano-4-(4-hexylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(4-hexylcyclohexyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-cyano-4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(4-hexylcyclohexyl)cyclohexanecarboxylic acid phenyl ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H37NO2/c1-2-3-4-6-9-21-12-14-23(15-13-21)26(20-27)18-16-22(17-19-26)25(28)29-24-10-7-5-8-11-24/h5,7-8,10-11,21-23H,2-4,6,9,12-19H2,1H3