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

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

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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#N

Isomeric SMILES

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

InChI

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