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

Systemtic Name: 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxy-2-phosphono-ethanoic acid Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxy-2-phosphono-acetic acid CAS Name: 2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]-2-phosphonoacetic acid IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-phosphonoacetic acid Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxy-2-phosphono-acetic acid Formula: C20H19N2O8P MolecularWeight: 446.347221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2O8P/c1-11-15(17(23)18(21)24)16-13(22(11)10-12-6-3-2-4-7-12)8-5-9-14(16)30-20(19(25)26)31(27,28)29/h2-9,20H,10H2,1H3,(H2,21,24)(H,25,26)(H2,27,28,29)