ethyl 2-azanyl-4-phenyl-butanoate; 1-methyl-2-oxidanylidene-3-propanoyl-imidazolidine-4-carboxylate

Systemtic Name: ethyl 2-azanyl-4-phenyl-butanoate; 1-methyl-2-oxidanylidene-3-propanoyl-imidazolidine-4-carboxylate Openeye Name: ethyl 2-amino-4-phenyl-butanoate; 1-methyl-2-oxo-3-propanoyl-imidazolidine-4-carboxylate CAS Name: 2-amino-4-phenylbutanoic acid ethyl ester; 1-methyl-2-oxo-3-(1-oxopropyl)-4-imidazolidinecarboxylate IUPAC Name: ethyl 2-amino-4-phenylbutanoate; 1-methyl-2-oxo-3-propanoylimidazolidine-4-carboxylate Traditional Name: 2-amino-4-phenyl-butyric acid ethyl ester; 2-keto-1-methyl-3-propionyl-imidazolidine-4-carboxylate Formula: C20H28N3O6- MolecularWeight: 406.45282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CN(C1=O)C)C(=O)[O-].CCOC(=O)C(CCC1=CC=CC=C1)N

Isomeric SMILES

CCC(=O)N1C(CN(C1=O)C)C(=O)[O-].CCOC(=O)C(CCC1=CC=CC=C1)N

InChI

InChI=1S/C12H17NO2.C8H12N2O4/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;1-3-6(11)10-5(7(12)13)4-9(2)8(10)14/h3-7,11H,2,8-9,13H2,1H3;5H,3-4H2,1-2H3,(H,12,13)/p-1