3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid

Systemtic Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid Openeye Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid CAS Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-6-quinazolinyl]benzoic acid IUPAC Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid Traditional Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-6-yl]benzoic acid Formula: C23H18ClN3O3 MolecularWeight: 419.86032

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=C(C(=C2C=N1)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)C(=O)O)OC

Isomeric SMILES

CNC1=NC2=C(C=C(C(=C2C=N1)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)C(=O)O)OC

InChI

InChI=1S/C23H18ClN3O3/c1-25-23-26-12-18-20(14-6-4-8-16(24)10-14)17(11-19(30-2)21(18)27-23)13-5-3-7-15(9-13)22(28)29/h3-12H,1-2H3,(H,28,29)(H,25,26,27)