2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-(4-isopropylphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-[4-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 2-(4-p-cumenylpiperazine-1-carbonyl)benzoic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H24N2O3/c1-15(2)16-7-9-17(10-8-16)22-11-13-23(14-12-22)20(24)18-5-3-4-6-19(18)21(25)26/h3-10,15H,11-14H2,1-2H3,(H,25,26)