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

Systemtic Name: 4-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 4-[oxo-[4-(2,4,5-trimethylphenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[4-(2,4,5-trimethylphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O)C

Isomeric SMILES

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

InChI

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