2-[5-bromanyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-5-bromo-1H-indol-3-yl]acetic acid CAS Name: 2-[5-bromo-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-bromo-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-5-bromo-1H-indol-3-yl]acetic acid Formula: C25H22BrNO4 MolecularWeight: 480.35048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO4/c1-2-30-23-12-17(8-11-22(23)31-15-16-6-4-3-5-7-16)25-20(14-24(28)29)19-13-18(26)9-10-21(19)27-25/h3-13,27H,2,14-15H2,1H3,(H,28,29)