(2-cyano-4-methyl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C)C#N

InChI

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