(2R,3R)-2-(3-methoxy-4-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(3-methoxy-4-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(3-methoxy-4-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(3-methoxy-4-pentoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(3-methoxy-4-pentoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(4-amoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(OC3=CC=CC=C3O2)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O)OC

InChI

InChI=1S/C21H24O6/c1-3-4-7-12-25-15-11-10-14(13-18(15)24-2)19-20(21(22)23)27-17-9-6-5-8-16(17)26-19/h5-6,8-11,13,19-20H,3-4,7,12H2,1-2H3,(H,22,23)/t19-,20-/m1/s1