2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxybutanedioic acid

Systemtic Name: 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxybutanedioic acid Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxybutanedioic acid CAS Name: 2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]butanedioic acid IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxybutanedioic acid Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)oxysuccinic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7/c1-12-18(20(27)21(23)28)19-14(24(12)11-13-6-3-2-4-7-13)8-5-9-15(19)31-16(22(29)30)10-17(25)26/h2-9,16H,10-11H2,1H3,(H2,23,28)(H,25,26)(H,29,30)