(4-cyanophenyl) 4-(2-methyl-4-pentyl-cyclohexyl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(2-methyl-4-pentyl-cyclohexyl)benzoate Openeye Name: (4-cyanophenyl) 4-(2-methyl-4-pentyl-cyclohexyl)benzoate CAS Name: 4-(2-methyl-4-pentylcyclohexyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(2-methyl-4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amyl-2-methyl-cyclohexyl)benzoic acid (4-cyanophenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(C(C1)C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CCC(C(C1)C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

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