1-(1,3-benzodioxol-5-yl)-5-butoxy-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-butoxy-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-butoxy-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-5-butoxy-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-butoxy-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-butoxy-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]indane-2-carboxylic acid Formula: C30H30O9 MolecularWeight: 534.5538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

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