[(2R,3R,4S,5R,6R)-2-(2-bromoethyloxy)-6-(hydroxymethyl)-5-oxidanyl-4-(propan-2-ylcarbamoyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-(2-bromoethyloxy)-6-(hydroxymethyl)-5-oxidanyl-4-(propan-2-ylcarbamoyloxy)oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R,6R)-2-(2-bromoethoxy)-5-hydroxy-6-(hydroxymethyl)-4-(isopropylcarbamoyloxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-2-(2-bromoethoxy)-5-hydroxy-6-(hydroxymethyl)-4-[oxo-(propan-2-ylamino)methoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-(2-bromoethoxy)-5-hydroxy-6-(hydroxymethyl)-4-(propan-2-ylcarbamoyloxy)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-2-(2-bromoethoxy)-5-hydroxy-4-(isopropylcarbamoyloxy)-6-methylol-tetrahydropyran-3-yl] ester Formula: C19H26BrNO8 MolecularWeight: 476.31564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)OCCBr)CO)O

Isomeric SMILES

CC(C)NC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OCCBr)CO)O

InChI

InChI=1S/C19H26BrNO8/c1-11(2)21-19(25)29-15-14(23)13(10-22)27-18(26-9-8-20)16(15)28-17(24)12-6-4-3-5-7-12/h3-7,11,13-16,18,22-23H,8-10H2,1-2H3,(H,21,25)/t13-,14-,15+,16-,18-/m1/s1