(2-cyano-4-heptyl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-heptyl-phenyl) 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid (2-cyano-4-heptyl-phenyl) ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C32H43NO2/c1-3-5-7-8-11-15-27-18-21-30(28(24-27)25-33)35-31(34)32(22-12-9-13-23-32)29-19-16-26(17-20-29)14-10-6-4-2/h16-21,24H,3-15,22-23H2,1-2H3