3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]benzoic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-14-6-7-15(2)18(12-14)21-8-10-22(11-9-21)19(23)16-4-3-5-17(13-16)20(24)25/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)