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

Systemtic Name: 1-[6-[4-(hydroxymethyl)phenoxy]pyridin-3-yl]-5-oxidanylidene-pyrrolidine-2,2-dicarboxylic acid Openeye Name: 1-[6-[4-(hydroxymethyl)phenoxy]-3-pyridyl]-5-oxo-pyrrolidine-2,2-dicarboxylic acid CAS Name: 1-[6-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]-5-oxopyrrolidine-2,2-dicarboxylic acid IUPAC Name: 1-[6-[4-(hydroxymethyl)phenoxy]pyridin-3-yl]-5-oxopyrrolidine-2,2-dicarboxylic acid Traditional Name: 5-keto-1-[6-(4-methylolphenoxy)-3-pyridyl]pyrrolidine-2,2-dicarboxylic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c21-10-11-1-4-13(5-2-11)27-14-6-3-12(9-19-14)20-15(22)7-8-18(20,16(23)24)17(25)26/h1-6,9,21H,7-8,10H2,(H,23,24)(H,25,26)