1-[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-N,N'-bis(benzyloxycarbonyl)carbamimidoyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-phenylmethoxycarbonylamino(phenylmethoxycarbonylimino)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-N,N'-dicarbobenzoxyamidino]nipecotic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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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(=N\C(=O)OCC2=CC=CC=C2)/NC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25N3O6/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/h1-6,8-11,19H,7,12-16H2,(H,27,28)(H,24,25,29,30)