3-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[3-(2-amino-6-chloro-quinazolin-4-yl)phenoxy]methyl]benzoic acid CAS Name: 3-[[3-(2-amino-6-chloro-4-quinazolinyl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[3-(2-amino-6-chloroquinazolin-4-yl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[3-(2-amino-6-chloro-quinazolin-4-yl)phenoxy]methyl]benzoic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=CC(=C2)C(=O)O)C3=NC(=NC4=C3C=C(C=C4)Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=CC(=C2)C(=O)O)C3=NC(=NC4=C3C=C(C=C4)Cl)N

InChI

InChI=1S/C22H16ClN3O3/c23-16-7-8-19-18(11-16)20(26-22(24)25-19)14-4-2-6-17(10-14)29-12-13-3-1-5-15(9-13)21(27)28/h1-11H,12H2,(H,27,28)(H2,24,25,26)