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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H22N4O6/c23-22-25-16-8-5-13(11-15(16)20(30)26-22)2-1-12-3-6-14(7-4-12)19(29)24-17(21(31)32)9-10-18(27)28/h3-8,11,17H,1-2,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)