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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[4-methoxy-2-(3-oxidanylpropyl)phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(3-hydroxypropyl)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-hydroxypropyl)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-hydroxypropyl)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(3-hydroxypropyl)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C30H32O7 MolecularWeight: 504.57088

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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)CCCO

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)CCCO

InChI

InChI=1S/C30H32O7/c1-3-13-35-23-8-10-25-20(15-23)16-26(29(32)33)30(25,21-6-11-27-28(17-21)37-18-36-27)24-9-7-22(34-2)14-19(24)5-4-12-31/h6-11,14-15,17,26,31H,3-5,12-13,16,18H2,1-2H3,(H,32,33)