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

Systemtic Name: 2-[3-bromanyl-5-methyl-4-[(3-pentyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-[3-bromo-5-methyl-4-[(3-pentyl-1H-indol-5-yl)oxy]phenyl]acetic acid CAS Name: 2-[3-bromo-5-methyl-4-[(3-pentyl-1H-indol-5-yl)oxy]phenyl]acetic acid IUPAC Name: 2-[3-bromo-5-methyl-4-[(3-pentyl-1H-indol-5-yl)oxy]phenyl]acetic acid Traditional Name: 2-[4-[(3-amyl-1H-indol-5-yl)oxy]-3-bromo-5-methyl-phenyl]acetic acid Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

Isomeric SMILES

CCCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

InChI

InChI=1S/C22H24BrNO3/c1-3-4-5-6-16-13-24-20-8-7-17(12-18(16)20)27-22-14(2)9-15(10-19(22)23)11-21(25)26/h7-10,12-13,24H,3-6,11H2,1-2H3,(H,25,26)