3-(quinoxalin-2-ylmethylamino)benzoic acid

Systemtic Name: 3-(quinoxalin-2-ylmethylamino)benzoic acid Openeye Name: 3-(quinoxalin-2-ylmethylamino)benzoic acid CAS Name: 3-(2-quinoxalinylmethylamino)benzoic acid IUPAC Name: 3-(quinoxalin-2-ylmethylamino)benzoic acid Traditional Name: 3-(quinoxalin-2-ylmethylamino)benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)CNC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)CNC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c20-16(21)11-4-3-5-12(8-11)17-9-13-10-18-14-6-1-2-7-15(14)19-13/h1-8,10,17H,9H2,(H,20,21)