O3-methyl O1-(phenylmethyl) (3S)-1,2-diazinane-1,3-dicarboxylate

Systemtic Name: O3-methyl O1-(phenylmethyl) (3S)-1,2-diazinane-1,3-dicarboxylate Openeye Name: O1-benzyl O3-methyl (3S)-hexahydropyridazine-1,3-dicarboxylate CAS Name: (3S)-diazinane-1,3-dicarboxylic acid O3-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-methyl (3S)-diazinane-1,3-dicarboxylate Traditional Name: (3S)-hexahydropyridazine-1,3-dicarboxylic acid O1-benzyl ester O3-methyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCCN(N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c1-19-13(17)12-8-5-9-16(15-12)14(18)20-10-11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3/t12-/m0/s1