4-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]benzoic acid Openeye Name: 4-[(4-methyl-3-oxo-piperazin-1-yl)methyl]benzoic acid CAS Name: 4-[(4-methyl-3-oxo-1-piperazinyl)methyl]benzoic acid IUPAC Name: 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid Traditional Name: 4-[(3-keto-4-methyl-piperazino)methyl]benzoic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1=O)CC2=CC=C(C=C2)C(=O)O

InChI

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