2,2-bis(fluoranyl)-4-(phenylmethoxycarbonylamino)pentanedioic acid

Systemtic Name: 2,2-bis(fluoranyl)-4-(phenylmethoxycarbonylamino)pentanedioic acid Openeye Name: 4-(benzyloxycarbonylamino)-2,2-difluoro-pentanedioic acid CAS Name: 2,2-difluoro-4-(phenylmethoxycarbonylamino)pentanedioic acid IUPAC Name: 2,2-difluoro-4-(phenylmethoxycarbonylamino)pentanedioic acid Traditional Name: 4-(benzyloxycarbonylamino)-2,2-difluoro-glutaric acid Formula: C13H13F2NO6 MolecularWeight: 317.242226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(C(=O)O)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(C(=O)O)(F)F)C(=O)O

InChI

InChI=1S/C13H13F2NO6/c14-13(15,11(19)20)6-9(10(17)18)16-12(21)22-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,21)(H,17,18)(H,19,20)