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

Systemtic Name: phenyl 4-cyano-4-(4-methylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-cyano-4-(4-methylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(4-methylcyclohexyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-cyano-4-(4-methylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(4-methylcyclohexyl)cyclohexanecarboxylic acid phenyl ester Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

CC1CCC(CC1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H27NO2/c1-16-7-9-18(10-8-16)21(15-22)13-11-17(12-14-21)20(23)24-19-5-3-2-4-6-19/h2-6,16-18H,7-14H2,1H3