4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]benzoic acid

Systemtic Name: 4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]benzoic acid Openeye Name: 4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]benzoic acid CAS Name: 4-[2-methoxy-4-[3-(4-methyl-1-piperazinyl)propyl]phenyl]benzoic acid IUPAC Name: 4-[2-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]benzoic acid Traditional Name: 4-[2-methoxy-4-[3-(4-methylpiperazino)propyl]phenyl]benzoic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CN1CCN(CC1)CCCC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H28N2O3/c1-23-12-14-24(15-13-23)11-3-4-17-5-10-20(21(16-17)27-2)18-6-8-19(9-7-18)22(25)26/h5-10,16H,3-4,11-15H2,1-2H3,(H,25,26)