3-[[2-cyanoethyl(methyl)amino]methyl]benzoate

Systemtic Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzoate Openeye Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzoate CAS Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzoate IUPAC Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzoate Traditional Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzoate Formula: C12H13N2O2- MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CN(CCC#N)CC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-14(7-3-6-13)9-10-4-2-5-11(8-10)12(15)16/h2,4-5,8H,3,7,9H2,1H3,(H,15,16)/p-1