tert-butyl (6Z)-4-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanylidene-5,8-dihydro-2H-1,4-diazocine-1-carboxylate

Systemtic Name: tert-butyl (6Z)-4-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanylidene-5,8-dihydro-2H-1,4-diazocine-1-carboxylate Openeye Name: tert-butyl (6Z)-4-[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate CAS Name: (6Z)-4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6Z)-4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate Traditional Name: (6Z)-4-[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]-3-keto-5,8-dihydro-2H-1,4-diazocine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CCN(C(=O)C1)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C/C=C\CN(C(=O)C1)[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(26)22-12-8-9-13-23(18(24)15-22)17(19(25)27-4)14-16-10-6-5-7-11-16/h5-11,17H,12-15H2,1-4H3/b9-8-/t17-/m0/s1