5-[(4-methylphenyl)methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(4-methylphenyl)methylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-oxo-5-(p-tolylmethylamino)pentanoate CAS Name: 5-[(4-methylphenyl)methylamino]-5-oxopentanoate IUPAC Name: 5-[(4-methylphenyl)methylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(4-methylbenzyl)amino]valerate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-10-5-7-11(8-6-10)9-14-12(15)3-2-4-13(16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H,16,17)/p-1