4-[[2,3-bis(oxidanylidene)-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2,3-bis(oxidanylidene)-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[2,3-dioxo-4-(2-pyridylmethyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[2,3-dioxo-4-(2-pyridinylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[2,3-dioxo-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[2,3-diketo-4-(2-pyridylmethyl)piperazino]methyl]benzoic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=N3

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=N3

InChI

InChI=1S/C18H17N3O4/c22-16-17(23)21(12-15-3-1-2-8-19-15)10-9-20(16)11-13-4-6-14(7-5-13)18(24)25/h1-8H,9-12H2,(H,24,25)