(2-cyano-4-ethyl-phenyl) 1-[4-(2-methylbutyl)phenyl]cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C27H33NO2/c1-4-20(3)17-22-9-12-24(13-10-22)27(15-7-6-8-16-27)26(29)30-25-14-11-21(5-2)18-23(25)19-28/h9-14,18,20H,4-8,15-17H2,1-3H3