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

Systemtic Name: 4-[8-methoxy-2-(methylamino)-5-(oxan-4-yl)quinazolin-7-yl]benzoic acid Openeye Name: 4-[8-methoxy-2-(methylamino)-5-tetrahydropyran-4-yl-quinazolin-7-yl]benzoic acid CAS Name: 4-[8-methoxy-2-(methylamino)-5-(4-oxanyl)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[8-methoxy-2-(methylamino)-5-(oxan-4-yl)quinazolin-7-yl]benzoic acid Traditional Name: 4-[8-methoxy-2-(methylamino)-5-tetrahydropyran-4-yl-quinazolin-7-yl]benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=CC(=C2C=N1)C3CCOCC3)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CNC1=NC2=C(C(=CC(=C2C=N1)C3CCOCC3)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C22H23N3O4/c1-23-22-24-12-18-16(14-7-9-29-10-8-14)11-17(20(28-2)19(18)25-22)13-3-5-15(6-4-13)21(26)27/h3-6,11-12,14H,7-10H2,1-2H3,(H,26,27)(H,23,24,25)