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

Systemtic Name: 2-[[4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-keto-2-methoxy-1H-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

COC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H22N4O7/c1-33-22-25-16-7-2-12(10-15(16)20(30)26-22)11-23-14-5-3-13(4-6-14)19(29)24-17(21(31)32)8-9-18(27)28/h2-7,10,17,23H,8-9,11H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H,25,26,30)