3-[(4-chlorophenyl)-cyano-pyridin-2-yl-methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)-cyano-pyridin-2-yl-methyl]pyrrolidine-1-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)-cyano-(2-pyridyl)methyl]pyrrolidine-1-carboxylic acid CAS Name: 3-[(4-chlorophenyl)-cyano-(2-pyridinyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)-cyano-pyridin-2-ylmethyl]pyrrolidine-1-carboxylic acid Traditional Name: 3-[(4-chlorophenyl)-cyano-(2-pyridyl)methyl]pyrrolidine-1-carboxylic acid Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(C#N)(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CC1C(C#N)(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C18H16ClN3O2/c19-15-6-4-13(5-7-15)18(12-20,16-3-1-2-9-21-16)14-8-10-22(11-14)17(23)24/h1-7,9,14H,8,10-11H2,(H,23,24)