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

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(3-iodanyl-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[(3-iodo-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(3-iodo-4-methylanilino)-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(3-iodo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(3-iodo-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C16H18F3IN2O3 MolecularWeight: 470.2254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3IN2O3/c1-10-2-3-12(8-13(10)20)21-14(23)11-4-6-22(7-5-11)15(24)25-9-16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H,21,23)