4-[[2-cyanoethyl(methyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2-cyanoethyl(methyl)amino]methyl]benzoic acid Openeye Name: 4-[[2-cyanoethyl(methyl)amino]methyl]benzoic acid CAS Name: 4-[[2-cyanoethyl(methyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2-cyanoethyl(methyl)amino]methyl]benzoic acid Traditional Name: 4-[[2-cyanoethyl(methyl)amino]methyl]benzoic acid Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2/c1-14(8-2-7-13)9-10-3-5-11(6-4-10)12(15)16/h3-6H,2,8-9H2,1H3,(H,15,16)