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

Systemtic Name: 4-[[(2-chloranylquinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-chloro-4-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12ClN3O2/c17-16-19-13-4-2-1-3-12(13)14(20-16)18-9-10-5-7-11(8-6-10)15(21)22/h1-8H,9H2,(H,21,22)(H,18,19,20)