(3S)-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: (3S)-1-phenylmethoxycarbonyl-1,2-diazinane-3-carboxylic acid Openeye Name: (3S)-1-benzyloxycarbonylhexahydropyridazine-3-carboxylic acid CAS Name: (3S)-1-phenylmethoxycarbonyl-3-diazinanecarboxylic acid IUPAC Name: (3S)-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid Traditional Name: (3S)-1-carbobenzoxyhexahydropyridazine-3-carboxylic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C[C@H](NN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(14-11)13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)/t11-/m0/s1