1-phenylmethoxycarbonylpiperidine-4-carboxylic acid; (phenylmethyl) 4-carbonochloridoylpiperidine-1-carboxylate

Systemtic Name: 1-phenylmethoxycarbonylpiperidine-4-carboxylic acid; (phenylmethyl) 4-carbonochloridoylpiperidine-1-carboxylate Openeye Name: benzyl 4-chlorocarbonylpiperidine-1-carboxylate; 1-benzyloxycarbonylpiperidine-4-carboxylic acid CAS Name: 4-carbonochloridoyl-1-piperidinecarboxylic acid (phenylmethyl) ester; 1-phenylmethoxycarbonyl-4-piperidinecarboxylic acid IUPAC Name: benzyl 4-carbonochloridoylpiperidine-1-carboxylate; 1-phenylmethoxycarbonylpiperidine-4-carboxylic acid Traditional Name: 1-carbobenzoxyisonipecotic acid; 4-chlorocarbonylpiperidine-1-carboxylic acid benzyl ester Formula: C28H33ClN2O7 MolecularWeight: 545.02382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2.C1CN(CCC1C(=O)Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)OCC2=CC=CC=C2.C1CN(CCC1C(=O)Cl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H16ClNO3.C14H17NO4/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11;16-13(17)12-6-8-15(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2;1-5,12H,6-10H2,(H,16,17)