2-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[1-(3,4-dimethylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[1-(3,4-dimethylphenyl)ethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[1-(3,4-dimethylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-[1-(3,4-dimethylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-15-8-9-18(14-16(15)2)17(3)23-10-12-24(13-11-23)21(25)19-6-4-5-7-20(19)22(26)27/h4-9,14,17H,10-13H2,1-3H3,(H,26,27)