methyl 2-[(2-bromanyl-5-fluoranyl-phenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(2-bromanyl-5-fluoranyl-phenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(2-bromo-5-fluoro-phenyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutanoate Traditional Name: 2-[(2-bromo-5-fluoro-benzyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H17BrFNO2 MolecularWeight: 318.181983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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