ethyl (3S)-3-azanyl-3-(2-bromanyl-4-methyl-phenyl)propanoate

Systemtic Name: ethyl (3S)-3-azanyl-3-(2-bromanyl-4-methyl-phenyl)propanoate Openeye Name: ethyl (3S)-3-amino-3-(2-bromo-4-methyl-phenyl)propanoate CAS Name: (3S)-3-amino-3-(2-bromo-4-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-amino-3-(2-bromo-4-methylphenyl)propanoate Traditional Name: (3S)-3-amino-3-(2-bromo-4-methyl-phenyl)propionic acid ethyl ester Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C=C(C=C1)C)Br)N

Isomeric SMILES

CCOC(=O)C[C@@H](C1=C(C=C(C=C1)C)Br)N

InChI

InChI=1S/C12H16BrNO2/c1-3-16-12(15)7-11(14)9-5-4-8(2)6-10(9)13/h4-6,11H,3,7,14H2,1-2H3/t11-/m0/s1