4-[5-(3-chlorophenyl)-8-methoxy-2-(propan-2-ylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(propan-2-ylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-chlorophenyl)-2-(isopropylamino)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(propan-2-ylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(propan-2-ylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-chlorophenyl)-2-(isopropylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)NC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H22ClN3O3/c1-14(2)28-25-27-13-21-19(17-5-4-6-18(26)11-17)12-20(23(32-3)22(21)29-25)15-7-9-16(10-8-15)24(30)31/h4-14H,1-3H3,(H,30,31)(H,27,28,29)