2-[[4-(8-methoxyquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(8-methoxyquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(8-methoxyquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(8-methoxy-2-quinoxalinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(8-methoxyquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(8-methoxyquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=NC=C(N=C21)N3CCN(CC3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=CC=CC2=NC=C(N=C21)N3CCN(CC3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H21N5O4/c1-30-17-8-4-7-16-19(17)24-18(13-22-16)25-9-11-26(12-10-25)21(29)23-15-6-3-2-5-14(15)20(27)28/h2-8,13H,9-12H2,1H3,(H,23,29)(H,27,28)