(2-cyano-4-ethyl-phenyl) 2-(2-nonan-4-ylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-ethyl-phenyl) 2-(2-nonan-4-ylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-ethyl-phenyl) 2-[2-(1-propylhexyl)phenyl]cyclohexanecarboxylate CAS Name: 2-(2-nonan-4-ylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-ethylphenyl) ester IUPAC Name: (2-cyano-4-ethylphenyl) 2-(2-nonan-4-ylphenyl)cyclohexane-1-carboxylate Traditional Name: 2-[2-(1-propylhexyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-ethyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)C1=CC=CC=C1C2CCCCC2C(=O)OC3=C(C=C(C=C3)CC)C#N

Isomeric SMILES

CCCCCC(CCC)C1=CC=CC=C1C2CCCCC2C(=O)OC3=C(C=C(C=C3)CC)C#N

InChI

InChI=1S/C31H41NO2/c1-4-7-8-14-24(13-5-2)26-15-9-10-16-27(26)28-17-11-12-18-29(28)31(33)34-30-20-19-23(6-3)21-25(30)22-32/h9-10,15-16,19-21,24,28-29H,4-8,11-14,17-18H2,1-3H3