3-[(2-chloranyl-3-fluoranyl-phenyl)carbonyl-cyclohexyl-amino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-3-fluoranyl-phenyl)carbonyl-cyclohexyl-amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[(2-chloro-3-fluoro-benzoyl)-cyclohexyl-amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[[(2-chloro-3-fluorophenyl)-oxomethyl]-cyclohexylamino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(2-chloro-3-fluorobenzoyl)-cyclohexylamino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[(2-chloro-3-fluoro-benzoyl)-cyclohexyl-amino]pyrrolidine-1-carboxylic acid Formula: C18H22ClFN2O3 MolecularWeight: 368.830283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCN(C2)C(=O)O)C(=O)C3=C(C(=CC=C3)F)Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCN(C2)C(=O)O)C(=O)C3=C(C(=CC=C3)F)Cl

InChI

InChI=1S/C18H22ClFN2O3/c19-16-14(7-4-8-15(16)20)17(23)22(12-5-2-1-3-6-12)13-9-10-21(11-13)18(24)25/h4,7-8,12-13H,1-3,5-6,9-11H2,(H,24,25)