3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-[4-[1-(3,4-dimethylphenyl)ethyl]piperazino]benzoic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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