4-[8-methoxy-2-(methylamino)-5-morpholin-4-yl-quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[8-methoxy-2-(methylamino)-5-morpholin-4-yl-quinazolin-7-yl]benzoic acid Openeye Name: 4-[8-methoxy-2-(methylamino)-5-morpholino-quinazolin-7-yl]benzoic acid CAS Name: 4-[8-methoxy-2-(methylamino)-5-(4-morpholinyl)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[8-methoxy-2-(methylamino)-5-morpholin-4-ylquinazolin-7-yl]benzoic acid Traditional Name: 4-[8-methoxy-2-(methylamino)-5-morpholino-quinazolin-7-yl]benzoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=CC(=C2C=N1)N3CCOCC3)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CNC1=NC2=C(C(=CC(=C2C=N1)N3CCOCC3)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C21H22N4O4/c1-22-21-23-12-16-17(25-7-9-29-10-8-25)11-15(19(28-2)18(16)24-21)13-3-5-14(6-4-13)20(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)(H,22,23,24)