4-[(3-azanyl-2-phenyl-quinoxalin-6-yl)methylamino]benzoic acid

Systemtic Name: 4-[(3-azanyl-2-phenyl-quinoxalin-6-yl)methylamino]benzoic acid Openeye Name: 4-[(3-amino-2-phenyl-quinoxalin-6-yl)methylamino]benzoic acid CAS Name: 4-[(3-amino-2-phenyl-6-quinoxalinyl)methylamino]benzoic acid IUPAC Name: 4-[(3-amino-2-phenylquinoxalin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(3-amino-2-phenyl-quinoxalin-6-yl)methylamino]benzoic acid Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)O)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)O)N=C2N

InChI

InChI=1S/C22H18N4O2/c23-21-20(15-4-2-1-3-5-15)25-18-11-6-14(12-19(18)26-21)13-24-17-9-7-16(8-10-17)22(27)28/h1-12,24H,13H2,(H2,23,26)(H,27,28)