4-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazine-1-carboxylic acid Formula: C19H20FN3O4 MolecularWeight: 373.378203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F)C(=O)O

InChI

InChI=1S/C19H20FN3O4/c20-16-12-15(21-18(24)27-13-14-4-2-1-3-5-14)6-7-17(16)22-8-10-23(11-9-22)19(25)26/h1-7,12H,8-11,13H2,(H,21,24)(H,25,26)