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

Systemtic Name: methyl (2S)-2-[(3-bromanyl-4-methoxy-phenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(3-bromo-4-methoxy-phenyl)methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-bromo-4-methoxy-benzyl)amino]-3-methyl-butyric acid methyl ester Formula: C14H20BrNO3 MolecularWeight: 330.2175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3/c1-9(2)13(14(17)19-4)16-8-10-5-6-12(18-3)11(15)7-10/h5-7,9,13,16H,8H2,1-4H3/t13-/m0/s1