4,4-dimethyl-5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: 4,4-dimethyl-5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: 5-anilino-4,4-dimethyl-5-oxo-pentanoate CAS Name: 5-anilino-4,4-dimethyl-5-oxopentanoate IUPAC Name: 5-anilino-4,4-dimethyl-5-oxopentanoate Traditional Name: 5-anilino-5-keto-4,4-dimethyl-valerate Formula: C13H16NO3- MolecularWeight: 234.27104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)[O-])C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(CCC(=O)[O-])C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3/c1-13(2,9-8-11(15)16)12(17)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,16)/p-1