3-[[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-(2-chlorophenyl)-2-(isopropylamino)quinazolin-7-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-(2-chlorophenyl)-2-(propan-2-ylamino)-7-quinazolinyl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxymethyl]benzoic acid Traditional Name: 3-[[6-(2-chlorophenyl)-2-(isopropylamino)quinazolin-7-yl]oxymethyl]benzoic acid Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=CC(=C(C=C2C=N1)C3=CC=CC=C3Cl)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)NC1=NC2=CC(=C(C=C2C=N1)C3=CC=CC=C3Cl)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H22ClN3O3/c1-15(2)28-25-27-13-18-11-20(19-8-3-4-9-21(19)26)23(12-22(18)29-25)32-14-16-6-5-7-17(10-16)24(30)31/h3-13,15H,14H2,1-2H3,(H,30,31)(H,27,28,29)