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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethyl)-4-methoxy-phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(2-hydroxyethyl)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethyl)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethyl)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(2-hydroxyethyl)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C29H30O7 MolecularWeight: 490.5443

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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)CCO

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)CCO

InChI

InChI=1S/C29H30O7/c1-3-12-34-22-6-8-24-19(14-22)15-25(28(31)32)29(24,20-4-9-26-27(16-20)36-17-35-26)23-7-5-21(33-2)13-18(23)10-11-30/h4-9,13-14,16,25,30H,3,10-12,15,17H2,1-2H3,(H,31,32)