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

Systemtic Name: (2R,3R)-2-(2-butoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(2-butoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(2-butoxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(2-butoxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(2-butoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C20H21O6- MolecularWeight: 357.37714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC=C1OC)C2C(OC3=CC=CC=C3O2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-]

InChI

InChI=1S/C20H22O6/c1-3-4-12-24-17-13(8-7-11-16(17)23-2)18-19(20(21)22)26-15-10-6-5-9-14(15)25-18/h5-11,18-19H,3-4,12H2,1-2H3,(H,21,22)/p-1/t18-,19-/m1/s1