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

Systemtic Name: ethyl (3S)-3-azanyl-3-(3-bromanyl-4-ethyl-phenyl)propanoate Openeye Name: ethyl (3S)-3-amino-3-(3-bromo-4-ethyl-phenyl)propanoate CAS Name: (3S)-3-amino-3-(3-bromo-4-ethylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-amino-3-(3-bromo-4-ethylphenyl)propanoate Traditional Name: (3S)-3-amino-3-(3-bromo-4-ethyl-phenyl)propionic acid ethyl ester Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CC(=O)OCC)N)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H](CC(=O)OCC)N)Br

InChI

InChI=1S/C13H18BrNO2/c1-3-9-5-6-10(7-11(9)14)12(15)8-13(16)17-4-2/h5-7,12H,3-4,8,15H2,1-2H3/t12-/m0/s1