2-(2-oxidanylidene-1,3-diazinan-1-yl)-1-phenylmethoxycarbonyl-piperidine-4-carboxylic acid

Systemtic Name: 2-(2-oxidanylidene-1,3-diazinan-1-yl)-1-phenylmethoxycarbonyl-piperidine-4-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-2-(2-oxohexahydropyrimidin-1-yl)piperidine-4-carboxylic acid CAS Name: 2-(2-oxo-1,3-diazinan-1-yl)-1-phenylmethoxycarbonyl-4-piperidinecarboxylic acid IUPAC Name: 2-(2-oxo-1,3-diazinan-1-yl)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid Traditional Name: 1-carbobenzoxy-2-(2-ketohexahydropyrimidin-1-yl)isonipecotic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)N(C1)C2CC(CCN2C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNC(=O)N(C1)C2CC(CCN2C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H23N3O5/c22-16(23)14-7-10-21(15(11-14)20-9-4-8-19-17(20)24)18(25)26-12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,19,24)(H,22,23)