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

Systemtic Name: 4-(2-oxidanylidene-1,3-diazinan-1-yl)-1-phenylmethoxycarbonyl-piperidine-4-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(2-oxohexahydropyrimidin-1-yl)piperidine-4-carboxylic acid CAS Name: 4-(2-oxo-1,3-diazinan-1-yl)-1-phenylmethoxycarbonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(2-oxo-1,3-diazinan-1-yl)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(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)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNC(=O)N(C1)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

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