(4-cyanocyclohexyl) 4-(4-hexylphenyl)benzoate

Systemtic Name: (4-cyanocyclohexyl) 4-(4-hexylphenyl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(4-hexylphenyl)benzoate CAS Name: 4-(4-hexylphenyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(4-hexylphenyl)benzoate Traditional Name: 4-(4-hexylphenyl)benzoic acid (4-cyanocyclohexyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C26H31NO2/c1-2-3-4-5-6-20-7-11-22(12-8-20)23-13-15-24(16-14-23)26(28)29-25-17-9-21(19-27)10-18-25/h7-8,11-16,21,25H,2-6,9-10,17-18H2,1H3