4-[[cyano(phenyl)methyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[cyano(phenyl)methyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[cyano(phenyl)methyl]-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[cyano(phenyl)methyl]-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[cyano(phenyl)methyl]-methylamino]-4-oxobutanoic acid Traditional Name: 4-[[cyano(phenyl)methyl]-methyl-amino]-4-keto-butyric acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-15(12(16)7-8-13(17)18)11(9-14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,17,18)