2-[2-(5-bromanyl-2-ethoxy-phenyl)-4,6-dimethyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-ethoxy-phenyl)-4,6-dimethyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-ethoxyphenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-ethoxyphenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=C(C3=C(C=C(C=C3N2)C)C)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=C(C3=C(C=C(C=C3N2)C)C)CC(=O)O

InChI

InChI=1S/C20H20BrNO3/c1-4-25-17-6-5-13(21)9-14(17)20-15(10-18(23)24)19-12(3)7-11(2)8-16(19)22-20/h5-9,22H,4,10H2,1-3H3,(H,23,24)