4-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[1-(2,4-dimethylphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[1-(2,4-dimethylphenyl)ethyl]piperazino]benzoic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-15-4-9-20(16(2)14-15)17(3)22-10-12-23(13-11-22)19-7-5-18(6-8-19)21(24)25/h4-9,14,17H,10-13H2,1-3H3,(H,24,25)