2-[3-bromanyl-4-[(3-butyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-4-[(3-butyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-[(3-butyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]acetic acid CAS Name: 2-[3-bromo-4-[(3-butyl-1H-indol-5-yl)oxy]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-bromo-4-[(3-butyl-1H-indol-5-yl)oxy]-5-methylphenyl]acetic acid Traditional Name: 2-[3-bromo-4-[(3-butyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]acetic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

Isomeric SMILES

CCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

InChI

InChI=1S/C21H22BrNO3/c1-3-4-5-15-12-23-19-7-6-16(11-17(15)19)26-21-13(2)8-14(9-18(21)22)10-20(24)25/h6-9,11-12,23H,3-5,10H2,1-2H3,(H,24,25)