5-oxidanylidene-1-[6-[4-(pyrazol-1-ylmethyl)phenoxy]pyridin-3-yl]pyrrolidine-2,2-dicarboxylic acid

Systemtic Name: 5-oxidanylidene-1-[6-[4-(pyrazol-1-ylmethyl)phenoxy]pyridin-3-yl]pyrrolidine-2,2-dicarboxylic acid Openeye Name: 5-oxo-1-[6-[4-(pyrazol-1-ylmethyl)phenoxy]-3-pyridyl]pyrrolidine-2,2-dicarboxylic acid CAS Name: 5-oxo-1-[6-[4-(1-pyrazolylmethyl)phenoxy]-3-pyridinyl]pyrrolidine-2,2-dicarboxylic acid IUPAC Name: 5-oxo-1-[6-[4-(pyrazol-1-ylmethyl)phenoxy]pyridin-3-yl]pyrrolidine-2,2-dicarboxylic acid Traditional Name: 5-keto-1-[6-[4-(pyrazol-1-ylmethyl)phenoxy]-3-pyridyl]pyrrolidine-2,2-dicarboxylic acid Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)CN4C=CC=N4)(C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)CN4C=CC=N4)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H18N4O6/c26-18-8-9-21(19(27)28,20(29)30)25(18)15-4-7-17(22-12-15)31-16-5-2-14(3-6-16)13-24-11-1-10-23-24/h1-7,10-12H,8-9,13H2,(H,27,28)(H,29,30)