2-[[4-[2-(4-oxidanylidene-1H-quinazolin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-(4-oxidanylidene-1H-quinazolin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(4-oxo-1H-quinazolin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[2-(4-oxo-1H-quinazolin-6-yl)ethylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(4-oxo-1H-quinazolin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(4-keto-1H-quinazolin-6-yl)ethylamino]benzoyl]amino]glutaric acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C22H22N4O6/c27-19(28)8-7-18(22(31)32)26-20(29)14-2-4-15(5-3-14)23-10-9-13-1-6-17-16(11-13)21(30)25-12-24-17/h1-6,11-12,18,23H,7-10H2,(H,26,29)(H,27,28)(H,31,32)(H,24,25,30)