O3-tert-butyl O1-(phenylmethyl) 2-(3-ethoxy-3-oxidanylidene-propanoyl)-1,2-diazinane-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-(phenylmethyl) 2-(3-ethoxy-3-oxidanylidene-propanoyl)-1,2-diazinane-1,3-dicarboxylate Openeye Name: O1-benzyl O3-tert-butyl 2-(3-ethoxy-3-oxo-propanoyl)hexahydropyridazine-1,3-dicarboxylate CAS Name: 2-(3-ethoxy-1,3-dioxopropyl)diazinane-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-tert-butyl 2-(3-ethoxy-3-oxopropanoyl)diazinane-1,3-dicarboxylate Traditional Name: 2-(3-ethoxy-3-keto-propanoyl)hexahydropyridazine-1,3-dicarboxylic acid O1-benzyl ester O3-tert-butyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1C(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(=O)N1C(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O7/c1-5-29-19(26)14-18(25)24-17(20(27)31-22(2,3)4)12-9-13-23(24)21(28)30-15-16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3