[4-(4-hexylcyclohexyl)phenyl] 4-cyanobenzoate

Systemtic Name: [4-(4-hexylcyclohexyl)phenyl] 4-cyanobenzoate Openeye Name: [4-(4-hexylcyclohexyl)phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-hexylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-hexylcyclohexyl)phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-hexylcyclohexyl)phenyl] ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H31NO2/c1-2-3-4-5-6-20-7-11-22(12-8-20)23-15-17-25(18-16-23)29-26(28)24-13-9-21(19-27)10-14-24/h9-10,13-18,20,22H,2-8,11-12H2,1H3