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

Systemtic Name: 4-[2-fluoranyl-3-(phenylmethoxycarbonylamino)phenyl]piperidine-4-carboxylic acid Openeye Name: 4-[3-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperidine-4-carboxylic acid CAS Name: 4-[2-fluoro-3-(phenylmethoxycarbonylamino)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[2-fluoro-3-(phenylmethoxycarbonylamino)phenyl]piperidine-4-carboxylic acid Traditional Name: 4-[3-(benzyloxycarbonylamino)-2-fluoro-phenyl]isonipecotic acid Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O4/c21-17-15(20(18(24)25)9-11-22-12-10-20)7-4-8-16(17)23-19(26)27-13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H,23,26)(H,24,25)