2-[2-ethyl-1-[(3-fluorophenyl)methyl]-3-oxamoyl-benzo[f]indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-ethyl-1-[(3-fluorophenyl)methyl]-3-oxamoyl-benzo[f]indol-4-yl]oxyethanoic acid Openeye Name: 2-[2-ethyl-1-[(3-fluorophenyl)methyl]-3-oxamoyl-benzo[f]indol-4-yl]oxyacetic acid CAS Name: 2-[[2-ethyl-1-[(3-fluorophenyl)methyl]-3-oxamoyl-4-benzo[f]indolyl]oxy]acetic acid IUPAC Name: 2-[2-ethyl-1-[(3-fluorophenyl)methyl]-3-oxamoylbenzo[f]indol-4-yl]oxyacetic acid Traditional Name: 2-[2-ethyl-1-(3-fluorobenzyl)-3-oxamoyl-benz[f]indol-4-yl]oxyacetic acid Formula: C25H21FN2O5 MolecularWeight: 448.443043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=CC=CC=C3C=C2N1CC4=CC(=CC=C4)F)OCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C3=CC=CC=C3C=C2N1CC4=CC(=CC=C4)F)OCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C25H21FN2O5/c1-2-18-21(23(31)25(27)32)22-19(28(18)12-14-6-5-8-16(26)10-14)11-15-7-3-4-9-17(15)24(22)33-13-20(29)30/h3-11H,2,12-13H2,1H3,(H2,27,32)(H,29,30)