sodium 4-oxidanylidene-4-(2-phenylpropylamino)butanoate

Systemtic Name: sodium 4-oxidanylidene-4-(2-phenylpropylamino)butanoate Openeye Name: sodium 4-oxo-4-(2-phenylpropylamino)butanoate CAS Name: sodium 4-oxo-4-(2-phenylpropylamino)butanoate IUPAC Name: sodium 4-oxo-4-(2-phenylpropylamino)butanoate Traditional Name: sodium 4-keto-4-(2-phenylpropylamino)butyrate Formula: C13H16NNaO3 MolecularWeight: 257.26081

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCC(=O)[O-])C1=CC=CC=C1.[Na+]

Isomeric SMILES

CC(CNC(=O)CCC(=O)[O-])C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C13H17NO3.Na/c1-10(11-5-3-2-4-6-11)9-14-12(15)7-8-13(16)17;/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17);/q;+1/p-1