4-[(4-methylphenyl)methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(4-methylphenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-(p-tolylmethylamino)butanoate CAS Name: 4-[(4-methylphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(4-methylphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methylbenzyl)amino]butyrate Formula: C12H14NO3- MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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