1-[bis(phenylmethoxycarbonylamino)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[bis(phenylmethoxycarbonylamino)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[bis(benzyloxycarbonylamino)methyl]piperidine-3-carboxylic acid CAS Name: 1-[bis(phenylmethoxycarbonylamino)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[bis(phenylmethoxycarbonylamino)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[bis(benzyloxycarbonylamino)methyl]nipecotic acid Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27N3O6/c27-20(28)19-12-7-13-26(14-19)21(24-22(29)31-15-17-8-3-1-4-9-17)25-23(30)32-16-18-10-5-2-6-11-18/h1-6,8-11,19,21H,7,12-16H2,(H,24,29)(H,25,30)(H,27,28)