2-iodanyl-2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxy-propanoic acid

Systemtic Name: 2-iodanyl-2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxy-propanoic acid Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxy-2-iodo-propanoic acid CAS Name: 2-iodo-2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]propanoic acid IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-iodopropanoic acid Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxy-2-iodo-propionic acid Formula: C21H19IN2O5 MolecularWeight: 506.29043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)(C(=O)O)I)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)(C(=O)O)I)C(=O)C(=O)N

InChI

InChI=1S/C21H19IN2O5/c1-12-16(18(25)19(23)26)17-14(24(12)11-13-7-4-3-5-8-13)9-6-10-15(17)29-21(2,22)20(27)28/h3-10H,11H2,1-2H3,(H2,23,26)(H,27,28)