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

Systemtic Name: 2-[2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoylamino]propanoic acid Openeye Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetyl]amino]propanoic acid Traditional Name: 2-[[2-(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxyacetyl]amino]propionic acid Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O6/c1-3-16-21(22(29)23(25)30)20-17(27(16)12-15-8-5-4-6-9-15)10-7-11-18(20)33-13-19(28)26-14(2)24(31)32/h4-11,14H,3,12-13H2,1-2H3,(H2,25,30)(H,26,28)(H,31,32)