ethyl (3S)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (3S)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (3S)-3-(benzyloxycarbonylamino)-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propanoate CAS Name: (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propionic acid ethyl ester Formula: C19H19BrClNO5 MolecularWeight: 456.71486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC(=CC(=C1O)Br)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H19BrClNO5/c1-2-26-17(23)10-16(14-8-13(21)9-15(20)18(14)24)22-19(25)27-11-12-6-4-3-5-7-12/h3-9,16,24H,2,10-11H2,1H3,(H,22,25)/t16-/m0/s1