2-[4-(2-methylpropanoyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(2-methylpropanoyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(2-methylpropanoyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(2-methylpropanoyl)piperazin-1-yl]benzoic acid Traditional Name: 2-(4-isobutyrylpiperazino)benzoic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H20N2O3/c1-11(2)14(18)17-9-7-16(8-10-17)13-6-4-3-5-12(13)15(19)20/h3-6,11H,7-10H2,1-2H3,(H,19,20)