3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxy-phenyl]propanoic acid Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-indan-1-yl]-5-methoxy-phenyl]propanoic acid CAS Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-2,3-dihydroinden-1-yl]-5-methoxyphenyl]propanoic acid Traditional Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2-carboxyoxy-5-propoxy-indan-1-yl]-5-methoxy-phenyl]propionic acid Formula: C30H30O9 MolecularWeight: 534.5538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30O9/c1-3-12-36-22-7-9-24-19(14-22)15-27(39-29(33)34)30(24,20-5-10-25-26(16-20)38-17-37-25)23-8-6-21(35-2)13-18(23)4-11-28(31)32/h5-10,13-14,16,27H,3-4,11-12,15,17H2,1-2H3,(H,31,32)(H,33,34)