2-[[3-[bis(carboxymethyl)amino]-4-methyl-2-oxidanyl-5-(phenylcarbonyl)phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-[bis(carboxymethyl)amino]-4-methyl-2-oxidanyl-5-(phenylcarbonyl)phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[5-benzoyl-3-[bis(carboxymethyl)amino]-N-(carboxymethyl)-2-hydroxy-4-methyl-anilino]acetic acid CAS Name: 2-[5-benzoyl-3-[bis(carboxymethyl)amino]-N-(carboxymethyl)-2-hydroxy-4-methylanilino]acetic acid IUPAC Name: 2-[5-benzoyl-3-[bis(carboxymethyl)amino]-N-(carboxymethyl)-2-hydroxy-4-methylanilino]acetic acid Traditional Name: 2-[5-benzoyl-3-[bis(carboxymethyl)amino]-N-(carboxymethyl)-2-hydroxy-4-methyl-anilino]acetic acid Formula: C22H22N2O10 MolecularWeight: 474.41748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)C2=CC=CC=C2)N(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)C2=CC=CC=C2)N(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C22H22N2O10/c1-12-14(21(33)13-5-3-2-4-6-13)7-15(23(8-16(25)26)9-17(27)28)22(34)20(12)24(10-18(29)30)11-19(31)32/h2-7,34H,8-11H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32)