dimethyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]propanedioate

Systemtic Name: dimethyl 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]propanedioate Openeye Name: dimethyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]propanedioate CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]propanedioate Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]malonic acid dimethyl ester Formula: C26H27N3O8 MolecularWeight: 509.50788

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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)OC)C(=O)OC)C(=O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O8/c1-4-16-21(23(31)24(27)32)20-17(29(16)13-15-9-6-5-7-10-15)11-8-12-18(20)37-14-19(30)28-22(25(33)35-2)26(34)36-3/h5-12,22H,4,13-14H2,1-3H3,(H2,27,32)(H,28,30)