(4-cyanophenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: (4-cyanophenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-cyanophenyl) ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H29NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h6-7,10-15,18-19,21H,3-5,8-9,16H2,1-2H3