tert-butyl 4-[(3-chloranyl-2-fluoranyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chloranyl-2-fluoranyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-chloro-2-fluoro-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(3-chloro-2-fluoroanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-chloro-2-fluorophenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-2-fluoro-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22ClFN2O3 MolecularWeight: 356.819583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C(=CC=C2)Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C(=CC=C2)Cl)F

InChI

InChI=1S/C17H22ClFN2O3/c1-17(2,3)24-16(23)21-9-7-11(8-10-21)15(22)20-13-6-4-5-12(18)14(13)19/h4-6,11H,7-10H2,1-3H3,(H,20,22)