tert-butyl 4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22BrF3N2O3 MolecularWeight: 451.27809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrF3N2O3/c1-17(2,3)27-16(26)24-8-6-11(7-9-24)15(25)23-12-4-5-14(19)13(10-12)18(20,21)22/h4-5,10-11H,6-9H2,1-3H3,(H,23,25)