methyl (2S)-2-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H17BrFNO4 MolecularWeight: 410.234283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)F)Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C18H17BrFNO4/c1-24-18(23)15(9-12-5-3-2-4-6-12)21-17(22)11-25-16-8-7-13(20)10-14(16)19/h2-8,10,15H,9,11H2,1H3,(H,21,22)/t15-/m0/s1