4-[2,5-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[2,5-dioxo-3-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-1-yl]benzoic acid CAS Name: 4-[2,5-dioxo-3-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[2,5-dioxo-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[2,5-diketo-3-[4-(2-pyridyl)piperazino]pyrrolidino]benzoic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C20H20N4O4/c25-18-13-16(19(26)24(18)15-6-4-14(5-7-15)20(27)28)22-9-11-23(12-10-22)17-3-1-2-8-21-17/h1-8,16H,9-13H2,(H,27,28)