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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-benzyloxy-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-benzoxy-1-[2-(carboxymethyloxy)-4-methoxy-benzyl]indole-2-carboxylic acid Formula: C33H27NO9 MolecularWeight: 581.56878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2C(=O)O)C5=CC6=C(C=C5)OCO6)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2C(=O)O)C5=CC6=C(C=C5)OCO6)OCC(=O)O

InChI

InChI=1S/C33H27NO9/c1-39-23-9-7-22(28(15-23)41-18-30(35)36)16-34-26-11-10-24(40-17-20-5-3-2-4-6-20)14-25(26)31(32(34)33(37)38)21-8-12-27-29(13-21)43-19-42-27/h2-15H,16-19H2,1H3,(H,35,36)(H,37,38)