4-[5-(3-chlorophenyl)-2-(methylamino)-8-oxidanyl-quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(3-chlorophenyl)-2-(methylamino)-8-oxidanyl-quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-chlorophenyl)-8-hydroxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-8-hydroxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-chlorophenyl)-8-hydroxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-chlorophenyl)-8-hydroxy-2-(methylamino)quinazolin-7-yl]benzoic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)O)C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)O)C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN3O3/c1-24-22-25-11-18-16(14-3-2-4-15(23)9-14)10-17(20(27)19(18)26-22)12-5-7-13(8-6-12)21(28)29/h2-11,27H,1H3,(H,28,29)(H,24,25,26)