(2R,3R)-2-(5-chloranyl-2-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(5-chloranyl-2-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(5-chloro-2-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(5-chloro-2-pentoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(5-chloro-2-pentoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(2-amoxy-5-chloro-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C20H21ClO5 MolecularWeight: 376.83074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClO5/c1-2-3-6-11-24-15-10-9-13(21)12-14(15)18-19(20(22)23)26-17-8-5-4-7-16(17)25-18/h4-5,7-10,12,18-19H,2-3,6,11H2,1H3,(H,22,23)/t18-,19-/m1/s1