ethyl (2R,3R)-3-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate

Systemtic Name: ethyl (2R,3R)-3-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate Openeye Name: ethyl (2R,3R)-3-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate CAS Name: (2R,3R)-3-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate Traditional Name: (2R,3R)-3-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylic acid ethyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CCC2=CC=CC=C2O1)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CCC2=CC=CC=C2O1)O

InChI

InChI=1S/C13H16O4/c1-2-16-13(15)12-10(14)8-7-9-5-3-4-6-11(9)17-12/h3-6,10,12,14H,2,7-8H2,1H3/t10-,12-/m1/s1