3-[[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid

Systemtic Name: 3-[[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid Openeye Name: 3-[[methyl-[2-(methylamino)-2-oxo-ethyl]amino]methyl]benzoic acid CAS Name: 3-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-keto-2-(methylamino)ethyl]-methyl-amino]methyl]benzoic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)CC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CNC(=O)CN(C)CC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16N2O3/c1-13-11(15)8-14(2)7-9-4-3-5-10(6-9)12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17)