sodium 2-[2-ethyl-6-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoate

Systemtic Name: sodium 2-[2-ethyl-6-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoate Openeye Name: sodium 2-(1-benzyl-2-ethyl-6-methyl-3-oxamoyl-indol-4-yl)oxyacetate CAS Name: sodium 2-[[2-ethyl-6-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetate IUPAC Name: sodium 2-(1-benzyl-2-ethyl-6-methyl-3-oxamoylindol-4-yl)oxyacetate Traditional Name: sodium 2-(1-benzyl-2-ethyl-6-methyl-3-oxamoyl-indol-4-yl)oxyacetate Formula: C22H21N2NaO5 MolecularWeight: 416.40231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)[O-])C)C(=O)C(=O)N.[Na+]

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2OCC(=O)[O-])C)C(=O)C(=O)N.[Na+]

InChI

InChI=1S/C22H22N2O5.Na/c1-3-15-20(21(27)22(23)28)19-16(24(15)11-14-7-5-4-6-8-14)9-13(2)10-17(19)29-12-18(25)26;/h4-10H,3,11-12H2,1-2H3,(H2,23,28)(H,25,26);/q;+1/p-1