tert-butyl (2S,6Z)-4-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-2-(phenylmethyl)-5,8-dihydro-2H-1,4-diazocine-1-carboxylate

Systemtic Name: tert-butyl (2S,6Z)-4-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-2-(phenylmethyl)-5,8-dihydro-2H-1,4-diazocine-1-carboxylate Openeye Name: tert-butyl (2S,6Z)-2-benzyl-4-(2-ethoxy-2-oxo-ethyl)-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate CAS Name: (2S,6Z)-4-(2-ethoxy-2-oxoethyl)-3-oxo-2-(phenylmethyl)-5,8-dihydro-2H-1,4-diazocine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6Z)-2-benzyl-4-(2-ethoxy-2-oxoethyl)-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate Traditional Name: (2S,6Z)-2-benzyl-4-(2-ethoxy-2-keto-ethyl)-3-keto-5,8-dihydro-2H-1,4-diazocine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC=CCN(C(C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C/C=C\CN([C@H](C1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O5/c1-5-28-19(25)16-23-13-9-10-14-24(21(27)29-22(2,3)4)18(20(23)26)15-17-11-7-6-8-12-17/h6-12,18H,5,13-16H2,1-4H3/b10-9-/t18-/m0/s1