(2-cyano-3-fluoranyl-phenyl) 4-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-3-fluoranyl-phenyl) 4-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-3-fluoro-phenyl) 4-benzylcyclohexanecarboxylate CAS Name: 4-(phenylmethyl)-1-cyclohexanecarboxylic acid (2-cyano-3-fluorophenyl) ester IUPAC Name: (2-cyano-3-fluorophenyl) 4-benzylcyclohexane-1-carboxylate Traditional Name: 4-benzylcyclohexanecarboxylic acid (2-cyano-3-fluoro-phenyl) ester Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2=CC=CC=C2)C(=O)OC3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CC(CCC1CC2=CC=CC=C2)C(=O)OC3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C21H20FNO2/c22-19-7-4-8-20(18(19)14-23)25-21(24)17-11-9-16(10-12-17)13-15-5-2-1-3-6-15/h1-8,16-17H,9-13H2