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

Systemtic Name: 4-(carboxymethyloxy)-2-ethyl-3-oxamoyl-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-4-(carboxymethyloxy)-2-ethyl-3-oxamoyl-indole-6-carboxylic acid CAS Name: 4-(carboxymethyloxy)-2-ethyl-3-oxamoyl-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-4-(carboxymethyloxy)-2-ethyl-3-oxamoylindole-6-carboxylic acid Traditional Name: 1-benzyl-4-(carboxymethyloxy)-2-ethyl-3-oxamoyl-indole-6-carboxylic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7/c1-2-14-19(20(27)21(23)28)18-15(24(14)10-12-6-4-3-5-7-12)8-13(22(29)30)9-16(18)31-11-17(25)26/h3-9H,2,10-11H2,1H3,(H2,23,28)(H,25,26)(H,29,30)