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

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]butanedioic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]butanedioic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]succinic acid Formula: C25H25N3O8 MolecularWeight: 495.4813

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25N3O8/c1-2-16-22(23(32)24(26)33)21-17(28(16)12-14-7-4-3-5-8-14)9-6-10-18(21)36-13-19(29)27-15(25(34)35)11-20(30)31/h3-10,15H,2,11-13H2,1H3,(H2,26,33)(H,27,29)(H,30,31)(H,34,35)