2-[3,5-bis(bromanyl)-4-[(3-hexyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[(3-hexyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-[(3-hexyl-1H-indol-5-yl)oxy]phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-[(3-hexyl-1H-indol-5-yl)oxy]phenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-[(3-hexyl-1H-indol-5-yl)oxy]phenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-[(3-hexyl-1H-indol-5-yl)oxy]phenyl]acetic acid Formula: C22H23Br2NO3 MolecularWeight: 509.23092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)Br

Isomeric SMILES

CCCCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)Br

InChI

InChI=1S/C22H23Br2NO3/c1-2-3-4-5-6-15-13-25-20-8-7-16(12-17(15)20)28-22-18(23)9-14(10-19(22)24)11-21(26)27/h7-10,12-13,25H,2-6,11H2,1H3,(H,26,27)