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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H30O9/c1-3-10-36-19-6-7-20-22(11-17-4-9-24-26(12-17)39-16-38-24)29(30(33)34)28(23(20)13-19)21-8-5-18(35-2)14-25(21)37-15-27(31)32/h4-9,12-14,22,28-29H,3,10-11,15-16H2,1-2H3,(H,31,32)(H,33,34)