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

Systemtic Name: 2-[2-(5-bromanyl-2-ethoxy-phenyl)-5-methoxy-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-methoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-methoxy-1H-indol-3-yl]acetic acid Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4/c1-3-25-17-7-4-11(20)8-15(17)19-14(10-18(22)23)13-9-12(24-2)5-6-16(13)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23)