4-[(2-carboxyphenyl)carbonylamino]heptanedioic acid

Systemtic Name: 4-[(2-carboxyphenyl)carbonylamino]heptanedioic acid Openeye Name: 4-[(2-carboxybenzoyl)amino]heptanedioic acid CAS Name: 4-[[(2-carboxyphenyl)-oxomethyl]amino]heptanedioic acid IUPAC Name: 4-[(2-carboxybenzoyl)amino]heptanedioic acid Traditional Name: 4-[(2-carboxybenzoyl)amino]pimelic acid Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CCC(=O)O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CCC(=O)O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H17NO7/c17-12(18)7-5-9(6-8-13(19)20)16-14(21)10-3-1-2-4-11(10)15(22)23/h1-4,9H,5-8H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)