1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(1-carbobenzoxy-4-piperidyl)oxy]acetyl]nipecotic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H28N2O6/c24-19(23-10-4-7-17(13-23)20(25)26)15-28-18-8-11-22(12-9-18)21(27)29-14-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,25,26)