3-methyl-2-piperazin-1-yl-benzoic acid

Systemtic Name: 3-methyl-2-piperazin-1-yl-benzoic acid Openeye Name: 3-methyl-2-piperazin-1-yl-benzoic acid CAS Name: 3-methyl-2-(1-piperazinyl)benzoic acid IUPAC Name: 3-methyl-2-piperazin-1-ylbenzoic acid Traditional Name: 3-methyl-2-piperazino-benzoic acid Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N2CCNCC2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N2CCNCC2)C(=O)O

InChI

InChI=1S/C12H16N2O2/c1-9-3-2-4-10(12(15)16)11(9)14-7-5-13-6-8-14/h2-4,13H,5-8H2,1H3,(H,15,16)