(2R,3R)-2-(4-butoxy-3-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2R,3R)-2-(4-butoxy-3-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(4-butoxy-3-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(4-butoxy-3-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(4-butoxy-3-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(4-butoxy-3-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C21H23O6- MolecularWeight: 371.40372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(OC3=CC=CC=C3O2)C(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-])OCC

InChI

InChI=1S/C21H24O6/c1-3-5-12-25-15-11-10-14(13-18(15)24-4-2)19-20(21(22)23)27-17-9-7-6-8-16(17)26-19/h6-11,13,19-20H,3-5,12H2,1-2H3,(H,22,23)/p-1/t19-,20-/m1/s1