[4-(4-propylcyclohexyl)phenyl] 1-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-propylcyclohexyl)phenyl] 1-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-propylcyclohexyl)phenyl] 1-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-pentyl-1-cyclohexanecarboxylic acid [4-(4-propylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-propylcyclohexyl)phenyl] 1-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-1-cyano-cyclohexanecarboxylic acid [4-(4-propylcyclohexyl)phenyl] ester Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)(C#N)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CCC

Isomeric SMILES

CCCCCC1CCC(CC1)(C#N)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CCC

InChI

InChI=1S/C28H41NO2/c1-3-5-6-8-23-17-19-28(21-29,20-18-23)27(30)31-26-15-13-25(14-16-26)24-11-9-22(7-4-2)10-12-24/h13-16,22-24H,3-12,17-20H2,1-2H3