tert-butyl 3-[(2-chloranyl-3-fluoranyl-phenyl)carbonyl-cyclohexyl-amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-chloranyl-3-fluoranyl-phenyl)carbonyl-cyclohexyl-amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[(2-chloro-3-fluoro-benzoyl)-cyclohexyl-amino]pyrrolidine-1-carboxylate CAS Name: 3-[[(2-chloro-3-fluorophenyl)-oxomethyl]-cyclohexylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-chloro-3-fluorobenzoyl)-cyclohexylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[(2-chloro-3-fluoro-benzoyl)-cyclohexyl-amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H30ClFN2O3 MolecularWeight: 424.936603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCCC2)C(=O)C3=C(C(=CC=C3)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCCC2)C(=O)C3=C(C(=CC=C3)F)Cl

InChI

InChI=1S/C22H30ClFN2O3/c1-22(2,3)29-21(28)25-13-12-16(14-25)26(15-8-5-4-6-9-15)20(27)17-10-7-11-18(24)19(17)23/h7,10-11,15-16H,4-6,8-9,12-14H2,1-3H3