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

Systemtic Name: (2-cyano-4-ethyl-phenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-ethyl-phenyl) 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-ethylphenyl) ester IUPAC Name: (2-cyano-4-ethylphenyl) 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid (2-cyano-4-ethyl-phenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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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)CC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2/c1-3-5-7-10-22-11-14-24(15-12-22)27(17-8-6-9-18-27)26(29)30-25-16-13-21(4-2)19-23(25)20-28/h11-16,19H,3-10,17-18H2,1-2H3