4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,6-dimethyl-benzoic acid

Systemtic Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,6-dimethyl-benzoic acid Openeye Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,6-dimethyl-benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-2,6-dimethylbenzoic acid IUPAC Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,6-dimethylbenzoic acid Traditional Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,6-dimethyl-benzoic acid Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)C)C2=C(C3=NC(=NC=C3C(=C2)C4=CC(=CC=C4)Cl)NC)OC

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)C)C2=C(C3=NC(=NC=C3C(=C2)C4=CC(=CC=C4)Cl)NC)OC

InChI

InChI=1S/C25H22ClN3O3/c1-13-8-16(9-14(2)21(13)24(30)31)19-11-18(15-6-5-7-17(26)10-15)20-12-28-25(27-3)29-22(20)23(19)32-4/h5-12H,1-4H3,(H,30,31)(H,27,28,29)