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

Systemtic Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazino]ethyl]benzoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CCC2=CC=C(C=C2)C(=O)O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CN1CCN(CC1)CCC2=CC=C(C=C2)C(=O)O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-17(30-21-8-6-20(7-9-21)25(28)29)16-24-14-12-23(13-15-24)11-10-18-2-4-19(5-3-18)22(26)27/h2-9,17H,10-16H2,1H3,(H,26,27)