4-(carboxycarbonyl)-2-ethyl-3-oxamoyl-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 4-(carboxycarbonyl)-2-ethyl-3-oxamoyl-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-2-ethyl-4-oxalo-3-oxamoyl-indole-6-carboxylic acid CAS Name: 2-ethyl-4-oxalo-3-oxamoyl-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-2-ethyl-4-oxalo-3-oxamoylindole-6-carboxylic acid Traditional Name: 1-benzyl-2-ethyl-4-oxalo-3-oxamoyl-indole-6-carboxylic acid Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2N1CC3=CC=CC=C3)C(=O)O)C(=O)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2N1CC3=CC=CC=C3)C(=O)O)C(=O)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C22H18N2O7/c1-2-14-17(19(26)20(23)27)16-13(18(25)22(30)31)8-12(21(28)29)9-15(16)24(14)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,23,27)(H,28,29)(H,30,31)