2-[[4-(6-methoxyquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(6-methoxyquinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(6-methoxyquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(6-methoxy-2-quinoxalinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(6-methoxyquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(6-methoxyquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=C(N=C2C=C1)N3CCN(CC3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=CC2=NC=C(N=C2C=C1)N3CCN(CC3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

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