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

Systemtic Name: diethyl (5E,7E)-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate Openeye Name: diethyl (5E,7E)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate CAS Name: (5E,7E)-1-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl (5E,7E)-1-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylate Traditional Name: (5E,7E)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,4-dihydro-2H-azocine-6,7-dicarboxylic acid diethyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCN(C=C1C(=O)OCC)C(CO)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-3-26-20(24)17-12-8-9-13-22(14-18(17)21(25)27-4-2)19(15-23)16-10-6-5-7-11-16/h5-7,10-12,14,19,23H,3-4,8-9,13,15H2,1-2H3/b17-12+,18-14+/t19-/m0/s1