4-[2,6-bis(fluoranyl)-3-(phenylmethoxycarbonylamino)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[2,6-bis(fluoranyl)-3-(phenylmethoxycarbonylamino)phenyl]piperidine-4-carboxylic acid Openeye Name: 4-[3-(benzyloxycarbonylamino)-2,6-difluoro-phenyl]piperidine-4-carboxylic acid CAS Name: 4-[2,6-difluoro-3-(phenylmethoxycarbonylamino)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[2,6-difluoro-3-(phenylmethoxycarbonylamino)phenyl]piperidine-4-carboxylic acid Traditional Name: 4-[3-(benzyloxycarbonylamino)-2,6-difluoro-phenyl]isonipecotic acid Formula: C20H20F2N2O4 MolecularWeight: 390.380606

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=C(C=CC(=C2F)NC(=O)OCC3=CC=CC=C3)F)C(=O)O

Isomeric SMILES

C1CNCCC1(C2=C(C=CC(=C2F)NC(=O)OCC3=CC=CC=C3)F)C(=O)O

InChI

InChI=1S/C20H20F2N2O4/c21-14-6-7-15(24-19(27)28-12-13-4-2-1-3-5-13)17(22)16(14)20(18(25)26)8-10-23-11-9-20/h1-7,23H,8-12H2,(H,24,27)(H,25,26)