3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-propoxy-indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-propoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-propoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5-propoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5-propoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-benzyl]-5-propoxy-indole-2-carboxylic acid Formula: C29H27NO9 MolecularWeight: 533.52598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=C(C=C(C=C5)OC)OCC(=O)O

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=C(C=C(C=C5)OC)OCC(=O)O

InChI

InChI=1S/C29H27NO9/c1-3-10-36-20-7-8-22-21(12-20)27(17-5-9-23-25(11-17)39-16-38-23)28(29(33)34)30(22)14-18-4-6-19(35-2)13-24(18)37-15-26(31)32/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,31,32)(H,33,34)