3-[[2-(4-methoxyphenyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(4-methoxyphenyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(4-methoxyphenyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(4-methoxyphenyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-methoxyphenyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(4-methoxyphenyl)quinazolin-4-yl]amino]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H17N3O3/c1-28-17-11-9-14(10-12-17)20-24-19-8-3-2-7-18(19)21(25-20)23-16-6-4-5-15(13-16)22(26)27/h2-13H,1H3,(H,26,27)(H,23,24,25)