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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C30H39NO2/c1-4-6-8-11-24-12-15-27(16-13-24)30(18-9-7-10-19-30)29(32)33-28-17-14-25(20-23(3)5-2)21-26(28)22-31/h12-17,21,23H,4-11,18-20H2,1-3H3