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

Systemtic Name: (4-butyl-2-cyano-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-butyl-2-cyano-phenyl) 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid (4-butyl-2-cyano-phenyl) ester Formula: C29H37NO2 MolecularWeight: 431.60958

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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)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-3-5-8-12-23-13-16-26(17-14-23)29(19-9-7-10-20-29)28(31)32-27-18-15-24(11-6-4-2)21-25(27)22-30/h13-18,21H,3-12,19-20H2,1-2H3