1-bromanyl-4-methoxy-benzene; tert-butyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

Systemtic Name: 1-bromanyl-4-methoxy-benzene; tert-butyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate Openeye Name: 1-bromo-4-methoxy-benzene; tert-butyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate CAS Name: 1-bromo-4-methoxybenzene; N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: 1-bromo-4-methoxybenzene; tert-butyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate Traditional Name: 1-bromo-4-methoxy-benzene; N-methyl-N-[4-(trifluoromethyl)benzyl]carbamic acid tert-butyl ester Formula: C21H25BrF3NO3 MolecularWeight: 476.32731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=CC=C(C=C1)C(F)(F)F.COC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=CC=C(C=C1)C(F)(F)F.COC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18F3NO2.C7H7BrO/c1-13(2,3)20-12(19)18(4)9-10-5-7-11(8-6-10)14(15,16)17;1-9-7-4-2-6(8)3-5-7/h5-8H,9H2,1-4H3;2-5H,1H3