2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]benzoic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H22N2O2/c1-14-7-8-15(2)18(13-14)21-11-9-20(10-12-21)17-6-4-3-5-16(17)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)