4-(methylamino)-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: 4-(methylamino)-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 2-benzyl-4-(methylamino)-4-oxo-butanoate CAS Name: 4-(methylamino)-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: 2-benzyl-4-(methylamino)-4-oxobutanoate Traditional Name: 2-benzyl-4-keto-4-(methylamino)butyrate Formula: C12H14NO3- MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CNC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C12H15NO3/c1-13-11(14)8-10(12(15)16)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1