4-[2-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-[3-(4-cyanophenoxy)propyl]-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-[3-(4-cyanophenoxy)propyl]piperazino]ethyl]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=C(C=C2)C#N)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)C#N)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27N3O3/c24-18-20-4-8-22(9-5-20)29-17-1-11-25-13-15-26(16-14-25)12-10-19-2-6-21(7-3-19)23(27)28/h2-9H,1,10-17H2,(H,27,28)