2-[(2-chloranylpyridin-3-yl)oxymethyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(2-chloranylpyridin-3-yl)oxymethyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(2-chloro-3-pyridyl)oxymethyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid CAS Name: 2-[(2-chloro-3-pyridinyl)oxymethyl]-5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(2-chloropyridin-3-yl)oxymethyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-[(2-chloro-3-pyridyl)oxymethyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Formula: C17H19ClN4O4 MolecularWeight: 378.81016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2C(=O)O)COC3=C(N=CC=C3)Cl)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2C(=O)O)COC3=C(N=CC=C3)Cl)C#N

InChI

InChI=1S/C17H19ClN4O4/c18-15-14(4-1-7-20-15)26-10-12-5-6-13(22(12)17(24)25)16(23)21-8-2-3-11(21)9-19/h1,4,7,11-13H,2-3,5-6,8,10H2,(H,24,25)