(2-cyano-4-methyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)C)C#N

InChI

InChI=1S/C25H29NO2/c1-18(2)15-20-8-10-22(11-9-20)25(13-5-4-6-14-25)24(27)28-23-12-7-19(3)16-21(23)17-26/h7-12,16,18H,4-6,13-15H2,1-3H3