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

Systemtic Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-[(phenylmethyl)amino]quinazolin-7-yl]benzoic acid Openeye Name: 4-[2-(benzylamino)-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-[(phenylmethyl)amino]-7-quinazolinyl]benzoic acid IUPAC Name: 4-[2-(benzylamino)-5-(3-chlorophenyl)-8-methoxyquinazolin-7-yl]benzoic acid Traditional Name: 4-[2-(benzylamino)-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C29H22ClN3O3 MolecularWeight: 495.95628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CN=C(N=C21)NCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CN=C(N=C21)NCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H22ClN3O3/c1-36-27-24(19-10-12-20(13-11-19)28(34)35)15-23(21-8-5-9-22(30)14-21)25-17-32-29(33-26(25)27)31-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3,(H,34,35)(H,31,32,33)