2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]propanedioic acid

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]propanedioic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]propanedioic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]propanedioic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]propanedioic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]malonic acid Formula: C24H23N3O8 MolecularWeight: 481.45472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O8/c1-2-14-19(21(29)22(25)30)18-15(27(14)11-13-7-4-3-5-8-13)9-6-10-16(18)35-12-17(28)26-20(23(31)32)24(33)34/h3-10,20H,2,11-12H2,1H3,(H2,25,30)(H,26,28)(H,31,32)(H,33,34)