2-[2-ethyl-6-(hydroxymethyl)-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-ethyl-6-(hydroxymethyl)-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-2-ethyl-6-(hydroxymethyl)-3-oxamoyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[2-ethyl-6-(hydroxymethyl)-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-2-ethyl-6-(hydroxymethyl)-3-oxamoylindol-4-yl]oxyacetic acid Traditional Name: 2-(1-benzyl-2-ethyl-6-methylol-3-oxamoyl-indol-4-yl)oxyacetic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)O)CO)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)O)CO)C(=O)C(=O)N

InChI

InChI=1S/C22H22N2O6/c1-2-15-20(21(28)22(23)29)19-16(24(15)10-13-6-4-3-5-7-13)8-14(11-25)9-17(19)30-12-18(26)27/h3-9,25H,2,10-12H2,1H3,(H2,23,29)(H,26,27)