methyl (2S)-3-[3-bromanyl-5-(methoxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-bromanyl-5-(methoxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-4-hydroxy-5-(methoxymethyl)phenyl]propanoate CAS Name: (2S)-3-[3-bromo-4-hydroxy-5-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-bromo-4-hydroxy-5-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[3-bromo-4-hydroxy-5-(methoxymethyl)phenyl]propionic acid methyl ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)Br)O

Isomeric SMILES

COCC1=C(C(=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)Br)O

InChI

InChI=1S/C20H22BrNO6/c1-26-12-15-8-14(9-16(21)18(15)23)10-17(19(24)27-2)22-20(25)28-11-13-6-4-3-5-7-13/h3-9,17,23H,10-12H2,1-2H3,(H,22,25)/t17-/m0/s1