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

Systemtic Name: 2-[3-bromanyl-5-methyl-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]ethanoic acid Openeye Name: 2-[3-bromo-5-methyl-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]acetic acid CAS Name: 2-[3-bromo-5-methyl-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]acetic acid IUPAC Name: 2-[3-bromo-5-methyl-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]acetic acid Traditional Name: 2-[3-bromo-5-methyl-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]acetic acid Formula: C20H20BrNO3 MolecularWeight: 402.2817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

Isomeric SMILES

CCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

InChI

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