(phenylmethyl) 1-[(3-cyano-4-phenyl-phenyl)methylamino]cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[(3-cyano-4-phenyl-phenyl)methylamino]cyclohexane-1-carboxylate Openeye Name: benzyl 1-[(3-cyano-4-phenyl-phenyl)methylamino]cyclohexanecarboxylate CAS Name: 1-[(3-cyano-4-phenylphenyl)methylamino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(3-cyano-4-phenylphenyl)methylamino]cyclohexane-1-carboxylate Traditional Name: 1-[(3-cyano-4-phenyl-benzyl)amino]cyclohexanecarboxylic acid benzyl ester Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC2=CC=CC=C2)NCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC2=CC=CC=C2)NCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

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