diethyl (5E,7E)-2-cyano-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate

Systemtic Name: diethyl (5E,7E)-2-cyano-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate Openeye Name: diethyl (5E,7E)-2-cyano-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate CAS Name: (5E,7E)-2-cyano-1-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl (5E,7E)-2-cyano-1-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate Traditional Name: (5E,7E)-2-cyano-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylic acid diethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCC(N(C=C1C(=O)OCC)C(CO)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C/1=C/CCC(N(/C=C1/C(=O)OCC)[C@@H](CO)C2=CC=CC=C2)C#N

InChI

InChI=1S/C22H26N2O5/c1-3-28-21(26)18-12-8-11-17(13-23)24(14-19(18)22(27)29-4-2)20(15-25)16-9-6-5-7-10-16/h5-7,9-10,12,14,17,20,25H,3-4,8,11,15H2,1-2H3/b18-12+,19-14+/t17?,20-/m0/s1