sodium 4-oxidanylidene-4-(2-phenylpropylamino)butanoic acid

Systemtic Name: sodium 4-oxidanylidene-4-(2-phenylpropylamino)butanoic acid Openeye Name: sodium 4-oxo-4-(2-phenylpropylamino)butanoic acid CAS Name: sodium 4-oxo-4-(2-phenylpropylamino)butanoic acid IUPAC Name: sodium 4-oxo-4-(2-phenylpropylamino)butanoic acid Traditional Name: sodium 4-keto-4-(2-phenylpropylamino)butyric acid Formula: C13H17NNaO3+ MolecularWeight: 258.26875

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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