2-[4-(2-oxidanyl-1-phenoxy-propyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(2-oxidanyl-1-phenoxy-propyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(2-hydroxy-1-phenoxy-propyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-(2-hydroxy-1-phenoxypropyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(2-hydroxy-1-phenoxypropyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2-hydroxy-1-phenoxy-propyl)piperazino]benzoic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=CC=C3)O

Isomeric SMILES

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=CC=C3)O

InChI

InChI=1S/C20H24N2O4/c1-15(23)19(26-16-7-3-2-4-8-16)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20(24)25/h2-10,15,19,23H,11-14H2,1H3,(H,24,25)