3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C29H28O9 MolecularWeight: 520.52722

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2)C(=O)O)(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)OCC(=O)O

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2)C(=O)O)(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)OCC(=O)O

InChI

InChI=1S/C29H28O9/c1-3-10-35-20-6-7-21-17(11-20)12-23(28(32)33)29(21,18-4-9-24-26(13-18)38-16-37-24)22-8-5-19(34-2)14-25(22)36-15-27(30)31/h4-9,11,13-14,23H,3,10,12,15-16H2,1-2H3,(H,30,31)(H,32,33)