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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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