3-(carboxymethyl)-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indole-5-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-3-(carboxymethyl)-1H-indole-5-carboxylic acid CAS Name: 3-(carboxymethyl)-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(carboxymethyl)-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 2-(4-benzoxy-3-ethoxy-phenyl)-3-(carboxymethyl)-1H-indole-5-carboxylic acid Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO6/c1-2-32-23-13-17(9-11-22(23)33-15-16-6-4-3-5-7-16)25-20(14-24(28)29)19-12-18(26(30)31)8-10-21(19)27-25/h3-13,27H,2,14-15H2,1H3,(H,28,29)(H,30,31)