methyl 2-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(5-bromo-2-fluoro-phenyl)methylamino]-4-methyl-pentanoate CAS Name: 2-[(5-bromo-2-fluorophenyl)methylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-4-methylpentanoate Traditional Name: 2-[(5-bromo-2-fluoro-benzyl)amino]-4-methyl-valeric acid methyl ester Formula: C14H19BrFNO2 MolecularWeight: 332.208563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrFNO2/c1-9(2)6-13(14(18)19-3)17-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,17H,6,8H2,1-3H3