methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-bromo-2-fluoro-phenyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(4-bromo-2-fluorophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-fluorophenyl)methylamino]-3-methylbutanoate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H17BrFNO2 MolecularWeight: 318.181983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C13H17BrFNO2/c1-8(2)12(13(17)18-3)16-7-9-4-5-10(14)6-11(9)15/h4-6,8,12,16H,7H2,1-3H3