[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 2-chloranyl-4,5-bis(fluoranyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C20H20ClF2NO3 MolecularWeight: 395.827506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2Cl)F)F

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2Cl)F)F

InChI

InChI=1S/C20H20ClF2NO3/c1-3-7-18(13-8-5-4-6-9-13)24-19(25)12(2)27-20(26)14-10-16(22)17(23)11-15(14)21/h4-6,8-12,18H,3,7H2,1-2H3,(H,24,25)