(2-cyano-4-pentyl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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