[(3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate

Systemtic Name: [(3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate Openeye Name: [(3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxy-3-oxanyl] ester IUPAC Name: [(3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,6S)-4-acetamido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(OC(C1OC(=O)C2=CC=CC=C2)CBr)OC

Isomeric SMILES

CC(=O)N[C@H]1C[C@H](OC([C@H]1OC(=O)C2=CC=CC=C2)CBr)OC

InChI

InChI=1S/C16H20BrNO5/c1-10(19)18-12-8-14(21-2)22-13(9-17)15(12)23-16(20)11-6-4-3-5-7-11/h3-7,12-15H,8-9H2,1-2H3,(H,18,19)/t12-,13?,14-,15-/m0/s1