3-[1-[carboxymethyl(methyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[1-[carboxymethyl(methyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[1-[carboxymethyl(methyl)amino]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[1-[carboxymethyl(methyl)amino]-2-hydroxy-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[1-[carboxymethyl(methyl)amino]-2-hydroxy-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[1-[carboxymethyl(methyl)amino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N(C)CC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N(C)CC(=O)O

InChI

InChI=1S/C15H16N2O6/c1-16(7-10(18)19)12(14(20)21)11-8-5-3-4-6-9(8)17(2)13(11)15(22)23/h3-6,12H,7H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)