3-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]-3-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 3-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]-3-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 3-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]-3-hydroxy-piperidine-1-carboxylic acid CAS Name: 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-hydroxy-1-piperidinecarboxylic acid IUPAC Name: 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-hydroxypiperidine-1-carboxylic acid Traditional Name: 3-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]-3-hydroxy-piperidine-1-carboxylic acid Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5/c21-17-11-15(22-18(24)28-12-14-5-2-1-3-6-14)7-8-16(17)20(27)9-4-10-23(13-20)19(25)26/h1-3,5-8,11,27H,4,9-10,12-13H2,(H,22,24)(H,25,26)