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

Systemtic Name: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-(2,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-(2,4-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)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

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

InChI

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