4-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[6-(2-chlorophenyl)-2-(isopropylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[6-(2-chlorophenyl)-2-(propan-2-ylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[6-(2-chlorophenyl)-2-(isopropylamino)quinazolin-7-yl]benzoic acid Formula: C24H20ClN3O2 MolecularWeight: 417.8875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O2/c1-14(2)27-24-26-13-17-11-20(18-5-3-4-6-21(18)25)19(12-22(17)28-24)15-7-9-16(10-8-15)23(29)30/h3-14H,1-2H3,(H,29,30)(H,26,27,28)