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

Systemtic Name: [4-(4-propylcyclohexyl)cyclohexyl] 4-cyanobenzoate Openeye Name: [4-(4-propylcyclohexyl)cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-propylcyclohexyl)cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-propylcyclohexyl)cyclohexyl] ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H31NO2/c1-2-3-17-4-8-19(9-5-17)20-12-14-22(15-13-20)26-23(25)21-10-6-18(16-24)7-11-21/h6-7,10-11,17,19-20,22H,2-5,8-9,12-15H2,1H3