[4-(4-pentylcyclohexyl)cyclohexyl] 4-cyanobenzoate

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 4-cyanobenzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H35NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-14-16-24(17-15-22)28-25(27)23-12-8-20(18-26)9-13-23/h8-9,12-13,19,21-22,24H,2-7,10-11,14-17H2,1H3