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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-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]-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-benzyl]indole-2-carboxylic acid Formula: C26H21NO8 MolecularWeight: 475.44684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5)OCC(=O)O

InChI

InChI=1S/C26H21NO8/c1-32-17-8-6-16(21(11-17)33-13-23(28)29)12-27-19-5-3-2-4-18(19)24(25(27)26(30)31)15-7-9-20-22(10-15)35-14-34-20/h2-11H,12-14H2,1H3,(H,28,29)(H,30,31)