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

Systemtic Name: [5-(5-carbamimidoyl-1H-indol-2-yl)-2-ethyl-3-(5-fluoranyl-2-oxidanyl-phenyl)-4-oxidanyl-phenyl] ethanoate Openeye Name: [5-(5-carbamimidoyl-1H-indol-2-yl)-2-ethyl-3-(5-fluoro-2-hydroxy-phenyl)-4-hydroxy-phenyl] acetate CAS Name: acetic acid [5-(5-carbamimidoyl-1H-indol-2-yl)-2-ethyl-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxyphenyl] ester IUPAC Name: [5-(5-carbamimidoyl-1H-indol-2-yl)-2-ethyl-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxyphenyl] acetate Traditional Name: acetic acid [5-(5-amidino-1H-indol-2-yl)-2-ethyl-3-(5-fluoro-2-hydroxy-phenyl)-4-hydroxy-phenyl] ester Formula: C25H22FN3O4 MolecularWeight: 447.458283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1C2=C(C=CC(=C2)F)O)O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)OC(=O)C

Isomeric SMILES

CCC1=C(C=C(C(=C1C2=C(C=CC(=C2)F)O)O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)OC(=O)C

InChI

InChI=1S/C25H22FN3O4/c1-3-16-22(33-12(2)30)11-17(24(32)23(16)18-10-15(26)5-7-21(18)31)20-9-14-8-13(25(27)28)4-6-19(14)29-20/h4-11,29,31-32H,3H2,1-2H3,(H3,27,28)