2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-1,2',3,5'-tetrakis(oxidanylidene)spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-1,2',3,5'-tetrakis(oxidanylidene)spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-fluoro-1,2',3,5'-tetraoxo-spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-1,2',3,5'-tetraoxo-1'-spiro[isoquinoline-4,3'-pyrrolidine]yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-1,2',3,5'-tetraoxospiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]acetic acid Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-6-fluoro-1,2',3,5'-tetraketo-spiro[isoquinoline-4,3'-pyrrolidine]-1'-yl]acetic acid Formula: C21H13BrF2N2O6 MolecularWeight: 507.238526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)F)C(=O)N(C2=O)CC4=C(C=C(C=C4)Br)F)CC(=O)O

Isomeric SMILES

C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)F)C(=O)N(C2=O)CC4=C(C=C(C=C4)Br)F)CC(=O)O

InChI

InChI=1S/C21H13BrF2N2O6/c22-11-2-1-10(15(24)5-11)8-26-18(30)13-4-3-12(23)6-14(13)21(20(26)32)7-16(27)25(19(21)31)9-17(28)29/h1-6H,7-9H2,(H,28,29)