(4-butyl-2-cyano-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (4-butyl-2-cyano-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-butyl-2-cyano-phenyl) 1-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-(4-methylphenyl)-1-cyclohexanecarboxylic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(p-tolyl)cyclohexanecarboxylic acid (4-butyl-2-cyano-phenyl) ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C25H29NO2/c1-3-4-8-20-11-14-23(21(17-20)18-26)28-24(27)25(15-6-5-7-16-25)22-12-9-19(2)10-13-22/h9-14,17H,3-8,15-16H2,1-2H3