2-[(2-carboxyphenyl)carbonylamino]-2-[3-[(2-carboxyphenyl)carbonylamino]propyl]propanedioic acid

Systemtic Name: 2-[(2-carboxyphenyl)carbonylamino]-2-[3-[(2-carboxyphenyl)carbonylamino]propyl]propanedioic acid Openeye Name: 2-[(2-carboxybenzoyl)amino]-2-[3-[(2-carboxybenzoyl)amino]propyl]propanedioic acid CAS Name: 2-[[(2-carboxyphenyl)-oxomethyl]amino]-2-[3-[[(2-carboxyphenyl)-oxomethyl]amino]propyl]propanedioic acid IUPAC Name: 2-[(2-carboxybenzoyl)amino]-2-[3-[(2-carboxybenzoyl)amino]propyl]propanedioic acid Traditional Name: 2-[(2-carboxybenzoyl)amino]-2-[3-[(2-carboxybenzoyl)amino]propyl]malonic acid Formula: C22H20N2O10 MolecularWeight: 472.4016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O10/c25-16(12-6-1-3-8-14(12)18(27)28)23-11-5-10-22(20(31)32,21(33)34)24-17(26)13-7-2-4-9-15(13)19(29)30/h1-4,6-9H,5,10-11H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)