2-[5-aminocarbonyl-9-[[2,3,5-tris(fluoranyl)phenyl]methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[[2,3,5-tris(fluoranyl)phenyl]methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(2,3,5-trifluorophenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(2,3,5-trifluorophenyl)methyl]-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(2,3,5-trifluorophenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[5-carbamoyl-9-(2,3,5-trifluorobenzyl)-$b-carbolin-4-yl]oxy]acetic acid Formula: C21H14F3N3O4 MolecularWeight: 429.34877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N(C3=CN=CC(=C32)OCC(=O)O)CC4=CC(=CC(=C4F)F)F)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)N(C3=CN=CC(=C32)OCC(=O)O)CC4=CC(=CC(=C4F)F)F)C(=O)N

InChI

InChI=1S/C21H14F3N3O4/c22-11-4-10(20(24)13(23)5-11)8-27-14-3-1-2-12(21(25)30)18(14)19-15(27)6-26-7-16(19)31-9-17(28)29/h1-7H,8-9H2,(H2,25,30)(H,28,29)