2,2,2-tris(fluoranyl)ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[(4-bromo-3-methyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(4-bromo-3-methylanilino)-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-bromo-3-methyl-phenyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C16H18BrF3N2O3 MolecularWeight: 423.22493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F)Br

InChI

InChI=1S/C16H18BrF3N2O3/c1-10-8-12(2-3-13(10)17)21-14(23)11-4-6-22(7-5-11)15(24)25-9-16(18,19)20/h2-3,8,11H,4-7,9H2,1H3,(H,21,23)