(2R,3R)-2-(4-butoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(4-butoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(4-butoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(4-butoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(4-butoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(4-butoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C19H20O5 MolecularWeight: 328.3591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(OC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20O5/c1-2-3-12-22-14-10-8-13(9-11-14)17-18(19(20)21)24-16-7-5-4-6-15(16)23-17/h4-11,17-18H,2-3,12H2,1H3,(H,20,21)/t17-,18-/m1/s1