[(2S,3S,4R,5R,6S)-5-benzamido-2-(bromomethyl)-6-methoxy-4-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R,6S)-5-benzamido-2-(bromomethyl)-6-methoxy-4-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6S)-5-benzamido-2-(bromomethyl)-4-hydroxy-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6S)-5-benzamido-2-(bromomethyl)-4-hydroxy-6-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-5-benzamido-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6S)-5-benzamido-2-(bromomethyl)-4-hydroxy-6-methoxy-tetrahydropyran-3-yl] ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)OC(=O)C2=CC=CC=C2)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrNO6/c1-27-21-16(23-19(25)13-8-4-2-5-9-13)17(24)18(15(12-22)28-21)29-20(26)14-10-6-3-7-11-14/h2-11,15-18,21,24H,12H2,1H3,(H,23,25)/t15-,16-,17-,18-,21+/m1/s1