3-(4-methylpiperazin-1-yl)carbonylbenzoic acid

Systemtic Name: 3-(4-methylpiperazin-1-yl)carbonylbenzoic acid Openeye Name: 3-(4-methylpiperazine-1-carbonyl)benzoic acid CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]benzoic acid IUPAC Name: 3-(4-methylpiperazine-1-carbonyl)benzoic acid Traditional Name: 3-(4-methylpiperazine-1-carbonyl)benzoic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(9-10)13(17)18/h2-4,9H,5-8H2,1H3,(H,17,18)