2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(5-fluoranyl-2-oxidanyl-phenyl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(5-fluoranyl-2-oxidanyl-phenyl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(5-fluoro-2-hydroxy-phenyl)-4-hydroxy-phenyl]acetic acid CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(5-fluoro-2-hydroxyphenyl)-4-hydroxyphenyl]acetic acid IUPAC Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(5-fluoro-2-hydroxyphenyl)-4-hydroxyphenyl]acetic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-5-(5-fluoro-2-hydroxy-phenyl)-4-hydroxy-phenyl]acetic acid Formula: C23H18FN3O4 MolecularWeight: 419.405123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(N2)C3=C(C(=CC(=C3)CC(=O)O)C4=C(C=CC(=C4)F)O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(N2)C3=C(C(=CC(=C3)CC(=O)O)C4=C(C=CC(=C4)F)O)O

InChI

InChI=1S/C23H18FN3O4/c24-14-2-4-20(28)15(10-14)16-5-11(7-21(29)30)6-17(22(16)31)19-9-13-8-12(23(25)26)1-3-18(13)27-19/h1-6,8-10,27-28,31H,7H2,(H3,25,26)(H,29,30)