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

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-[(3-cyclopentyl-1H-indol-5-yl)oxy]phenyl]acetic acid Formula: C21H19Br2NO3 MolecularWeight: 493.18846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CNC3=C2C=C(C=C3)OC4=C(C=C(C=C4Br)CC(=O)O)Br

Isomeric SMILES

C1CCC(C1)C2=CNC3=C2C=C(C=C3)OC4=C(C=C(C=C4Br)CC(=O)O)Br

InChI

InChI=1S/C21H19Br2NO3/c22-17-7-12(9-20(25)26)8-18(23)21(17)27-14-5-6-19-15(10-14)16(11-24-19)13-3-1-2-4-13/h5-8,10-11,13,24H,1-4,9H2,(H,25,26)