2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazino]acetic acid Formula: C27H26FN3O3 MolecularWeight: 459.512043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(C3=CNC4=C3C=CC(=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H26FN3O3/c28-20-6-8-21(9-7-20)30-12-14-31(15-13-30)26(27(32)33)24-17-29-25-16-22(10-11-23(24)25)34-18-19-4-2-1-3-5-19/h1-11,16-17,26,29H,12-15,18H2,(H,32,33)