2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[4-[1-(4-bromophenyl)-5-methyl-2-pyrrolyl]phenoxy]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[4-[1-(4-bromophenyl)-5-methylpyrrol-2-yl]phenoxy]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-(1H-indol-3-yl)propionic acid Formula: C28H23BrN2O3 MolecularWeight: 515.39782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H23BrN2O3/c1-18-6-15-26(31(18)22-11-9-21(29)10-12-22)19-7-13-23(14-8-19)34-27(28(32)33)16-20-17-30-25-5-3-2-4-24(20)25/h2-15,17,27,30H,16H2,1H3,(H,32,33)