2-[5-bromanyl-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-bromo-2-(3,4-diethoxyphenyl)-1H-indol-3-yl]acetic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4/c1-3-25-17-8-5-12(9-18(17)26-4-2)20-15(11-19(23)24)14-10-13(21)6-7-16(14)22-20/h5-10,22H,3-4,11H2,1-2H3,(H,23,24)