methyl (1S,2R,6R)-6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,2R,6R)-6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,2R,6R)-6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,6R)-6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6R)-6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,6R)-6-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethyl)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC=CC1CCO)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](CC=C[C@H]1CCO)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20O5/c1-20-17(19)16-11(7-8-18)3-2-4-13(16)12-5-6-14-15(9-12)22-10-21-14/h2-3,5-6,9,11,13,16,18H,4,7-8,10H2,1H3/t11-,13-,16-/m0/s1