(2-cyano-4-pentyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 1-(4-isobutylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(2-methylpropyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 1-[4-(2-methylpropyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isobutylphenyl)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)CC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-5-7-10-23-13-16-27(25(20-23)21-30)32-28(31)29(17-8-6-9-18-29)26-14-11-24(12-15-26)19-22(2)3/h11-16,20,22H,4-10,17-19H2,1-3H3