N-(cyanomethyl)-2-[2-(4-phenylmethoxyphenyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-(4-phenylmethoxyphenyl)phenyl]cyclohexane-1-carboxamide Openeye Name: 2-[2-(4-benzyloxyphenyl)phenyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-(4-phenylmethoxyphenyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-(4-phenylmethoxyphenyl)phenyl]cyclohexane-1-carboxamide Traditional Name: 2-[2-(4-benzoxyphenyl)phenyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NCC#N

Isomeric SMILES

C1CCC(C(C1)C2=CC=CC=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NCC#N

InChI

InChI=1S/C28H28N2O2/c29-18-19-30-28(31)27-13-7-6-12-26(27)25-11-5-4-10-24(25)22-14-16-23(17-15-22)32-20-21-8-2-1-3-9-21/h1-5,8-11,14-17,26-27H,6-7,12-13,19-20H2,(H,30,31)