2-[(2-carboxyphenyl)carbonylamino]-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-[(2-carboxyphenyl)carbonylamino]-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-[(2-carboxybenzoyl)amino]propanedioic acid CAS Name: 2-[[(2-carboxyphenyl)-oxomethyl]amino]-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-[(2-carboxybenzoyl)amino]propanedioic acid Traditional Name: 2-benzyl-2-[(2-carboxybenzoyl)amino]malonic acid Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7/c20-14(12-8-4-5-9-13(12)15(21)22)19-18(16(23)24,17(25)26)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)