ethyl (E,4S,5R)-4-bromanyl-5-oxidanyl-8-(phenylmethoxycarbonylamino)oct-2-enoate

Systemtic Name: ethyl (E,4S,5R)-4-bromanyl-5-oxidanyl-8-(phenylmethoxycarbonylamino)oct-2-enoate Openeye Name: ethyl (E,4S,5R)-8-(benzyloxycarbonylamino)-4-bromo-5-hydroxy-oct-2-enoate CAS Name: (E,4S,5R)-4-bromo-5-hydroxy-8-(phenylmethoxycarbonylamino)-2-octenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5R)-4-bromo-5-hydroxy-8-(phenylmethoxycarbonylamino)oct-2-enoate Traditional Name: (E,4S,5R)-8-(benzyloxycarbonylamino)-4-bromo-5-hydroxy-oct-2-enoic acid ethyl ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(CCCNC(=O)OCC1=CC=CC=C1)O)Br

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]([C@@H](CCCNC(=O)OCC1=CC=CC=C1)O)Br

InChI

InChI=1S/C18H24BrNO5/c1-2-24-17(22)11-10-15(19)16(21)9-6-12-20-18(23)25-13-14-7-4-3-5-8-14/h3-5,7-8,10-11,15-16,21H,2,6,9,12-13H2,1H3,(H,20,23)/b11-10+/t15-,16+/m0/s1