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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-propylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-propylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C28H35NO2/c1-4-9-22-10-13-25(14-11-22)28(16-7-6-8-17-28)27(30)31-26-15-12-23(18-21(3)5-2)19-24(26)20-29/h10-15,19,21H,4-9,16-18H2,1-3H3