4-oxidanylidene-4-phenylazanyl-2-(propylazaniumyl)butanoate

Systemtic Name: 4-oxidanylidene-4-phenylazanyl-2-(propylazaniumyl)butanoate Openeye Name: 4-anilino-4-oxo-2-(propylammonio)butanoate CAS Name: 4-anilino-4-oxo-2-(propylammonio)butanoate IUPAC Name: 4-anilino-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: 4-anilino-4-keto-2-(propylammonio)butyrate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCC[NH2+]C(CC(=O)NC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-2-8-14-11(13(17)18)9-12(16)15-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,15,16)(H,17,18)