2-[4-[bis(carboxymethyl)amino]-3-(carboxymethyloxy)phenyl]-1H-indole-6-carboxylic acid

Systemtic Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethyloxy)phenyl]-1H-indole-6-carboxylic acid Openeye Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethyloxy)phenyl]-1H-indole-6-carboxylic acid CAS Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethyloxy)phenyl]-1H-indole-6-carboxylic acid IUPAC Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethyloxy)phenyl]-1H-indole-6-carboxylic acid Traditional Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethyloxy)phenyl]-1H-indole-6-carboxylic acid Formula: C21H18N2O9 MolecularWeight: 442.37562

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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)N(CC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O9/c24-18(25)8-23(9-19(26)27)16-4-3-12(7-17(16)32-10-20(28)29)14-5-11-1-2-13(21(30)31)6-15(11)22-14/h1-7,22H,8-10H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)