2-[4-[[3-(2,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[3-(2,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[3-(2,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[3-(2,4-dimethylphenyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[3-(2,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[3-(2,4-dimethylphenyl)piperazino]methyl]phenyl]acetic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CN(CCN2)CC3=CC=C(C=C3)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2CN(CCN2)CC3=CC=C(C=C3)CC(=O)O)C

InChI

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