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

Systemtic Name: (2-cyano-4-methyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-methyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-methylphenyl) ester IUPAC Name: (2-cyano-4-methylphenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylbutyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-methyl-phenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C)C#N

Isomeric SMILES

CCC(C)CC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C)C#N

InChI

InChI=1S/C26H31NO2/c1-4-19(2)16-21-9-11-23(12-10-21)26(14-6-5-7-15-26)25(28)29-24-13-8-20(3)17-22(24)18-27/h8-13,17,19H,4-7,14-16H2,1-3H3