2-[[4-(6-carboxy-1H-indol-2-yl)-2-(carboxymethyloxy)phenyl]amino]propanedioic acid

Systemtic Name: 2-[[4-(6-carboxy-1H-indol-2-yl)-2-(carboxymethyloxy)phenyl]amino]propanedioic acid Openeye Name: 2-[4-(6-carboxy-1H-indol-2-yl)-2-(carboxymethyloxy)anilino]propanedioic acid CAS Name: 2-[4-(6-carboxy-1H-indol-2-yl)-2-(carboxymethyloxy)anilino]propanedioic acid IUPAC Name: 2-[4-(6-carboxy-1H-indol-2-yl)-2-(carboxymethyloxy)anilino]propanedioic acid Traditional Name: 2-[4-(6-carboxy-1H-indol-2-yl)-2-(carboxymethyloxy)anilino]malonic acid Formula: C20H16N2O9 MolecularWeight: 428.34904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC3=C(N2)C=C(C=C3)C(=O)O)OCC(=O)O)NC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC3=C(N2)C=C(C=C3)C(=O)O)OCC(=O)O)NC(C(=O)O)C(=O)O

InChI

InChI=1S/C20H16N2O9/c23-16(24)8-31-15-7-10(3-4-12(15)22-17(19(27)28)20(29)30)13-5-9-1-2-11(18(25)26)6-14(9)21-13/h1-7,17,21-22H,8H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)