2,2,2-tris(fluoranyl)ethyl 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 2-[(3-bromophenyl)carbamoyl]cyclohexanecarboxylate CAS Name: 2-[(3-bromoanilino)-oxomethyl]-1-cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-[(3-bromophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: 2-[(3-bromophenyl)carbamoyl]cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester Formula: C16H17BrF3NO3 MolecularWeight: 408.21029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC(=CC=C2)Br)C(=O)OCC(F)(F)F

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC(=CC=C2)Br)C(=O)OCC(F)(F)F

InChI

InChI=1S/C16H17BrF3NO3/c17-10-4-3-5-11(8-10)21-14(22)12-6-1-2-7-13(12)15(23)24-9-16(18,19)20/h3-5,8,12-13H,1-2,6-7,9H2,(H,21,22)