tert-butyl (3S,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-6-oxidanylidene-4-phenyl-1,2-diazinane-3-carboxylate

Systemtic Name: tert-butyl (3S,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-6-oxidanylidene-4-phenyl-1,2-diazinane-3-carboxylate Openeye Name: tert-butyl (3S,4S)-1-(2-tert-butoxy-2-oxo-ethyl)-6-oxo-4-phenyl-hexahydropyridazine-3-carboxylate CAS Name: (3S,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-4-phenyl-3-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-4-phenyldiazinane-3-carboxylate Traditional Name: (3S,4S)-1-(2-tert-butoxy-2-keto-ethyl)-6-keto-4-phenyl-hexahydropyridazine-3-carboxylic acid tert-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)CC(C(N1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C[C@H]([C@H](N1)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5/c1-20(2,3)27-17(25)13-23-16(24)12-15(14-10-8-7-9-11-14)18(22-23)19(26)28-21(4,5)6/h7-11,15,18,22H,12-13H2,1-6H3/t15-,18-/m0/s1