methyl (2S)-2-[(3-bromophenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(3-bromophenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(3-bromophenyl)methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-bromophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-bromophenyl)methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-bromobenzyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H18BrNO2 MolecularWeight: 300.19152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NCC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H18BrNO2/c1-9(2)12(13(16)17-3)15-8-10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t12-/m0/s1