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

Systemtic Name: (2-cyano-4-propyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-propyl-phenyl) 1-(4-isobutylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(2-methylpropyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isobutylphenyl)cyclohexanecarboxylic acid (2-cyano-4-propyl-phenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)C)C#N

Isomeric SMILES

CCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)C)C#N

InChI

InChI=1S/C27H33NO2/c1-4-8-21-11-14-25(23(18-21)19-28)30-26(29)27(15-6-5-7-16-27)24-12-9-22(10-13-24)17-20(2)3/h9-14,18,20H,4-8,15-17H2,1-3H3