2-[4-[[(2-chloranylquinazolin-4-yl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(2-chloranylquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(2-chloroquinazolin-4-yl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(2-chloro-4-quinazolinyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2-chloroquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(2-chloroquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Formula: C22H16ClN3O2 MolecularWeight: 389.83434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)Cl)C(=O)O

InChI

InChI=1S/C22H16ClN3O2/c23-22-25-19-8-4-3-7-18(19)20(26-22)24-13-14-9-11-15(12-10-14)16-5-1-2-6-17(16)21(27)28/h1-12H,13H2,(H,27,28)(H,24,25,26)