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

Systemtic Name: 3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-(2,4,5-trimethylphenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H24N2O3/c1-14-11-16(3)19(12-15(14)2)22-7-9-23(10-8-22)20(24)17-5-4-6-18(13-17)21(25)26/h4-6,11-13H,7-10H2,1-3H3,(H,25,26)