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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethyloxy)-4-methoxy-phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(2-hydroxyethoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(2-hydroxyethoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C29H30O8 MolecularWeight: 506.5437

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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)OCCO

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)OCCO

InChI

InChI=1S/C29H30O8/c1-3-11-34-21-6-7-22-18(13-21)14-24(28(31)32)29(22,19-4-9-25-27(15-19)37-17-36-25)23-8-5-20(33-2)16-26(23)35-12-10-30/h4-9,13,15-16,24,30H,3,10-12,14,17H2,1-2H3,(H,31,32)