2-[4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[4-(2,5-dimethylphenyl)piperazino]methyl]phenyl]acetic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C21H26N2O2/c1-16-3-4-17(2)20(13-16)23-11-9-22(10-12-23)15-19-7-5-18(6-8-19)14-21(24)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,25)