1-ethoxycarbonyl-1-methyl-2-oxidanylidene-4-(3-phenylpropylamino)-3-propanoyl-imidazolidin-1-ium-4-carboxylic acid

Systemtic Name: 1-ethoxycarbonyl-1-methyl-2-oxidanylidene-4-(3-phenylpropylamino)-3-propanoyl-imidazolidin-1-ium-4-carboxylic acid Openeye Name: 1-ethoxycarbonyl-1-methyl-2-oxo-4-(3-phenylpropylamino)-3-propanoyl-imidazolidin-1-ium-4-carboxylic acid CAS Name: 1-ethoxycarbonyl-1-methyl-2-oxo-3-(1-oxopropyl)-4-(3-phenylpropylamino)-4-imidazolidin-1-iumcarboxylic acid IUPAC Name: 1-ethoxycarbonyl-1-methyl-2-oxo-4-(3-phenylpropylamino)-3-propanoylimidazolidin-1-ium-4-carboxylic acid Traditional Name: 1-carbethoxy-2-keto-1-methyl-4-(3-phenylpropylamino)-3-propionyl-imidazolidin-1-ium-4-carboxylic acid Formula: C20H28N3O6+ MolecularWeight: 406.45282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=O)[N+](CC1(C(=O)O)NCCCC2=CC=CC=C2)(C)C(=O)OCC

Isomeric SMILES

CCC(=O)N1C(=O)[N+](CC1(C(=O)O)NCCCC2=CC=CC=C2)(C)C(=O)OCC

InChI

InChI=1S/C20H27N3O6/c1-4-16(24)22-18(27)23(3,19(28)29-5-2)14-20(22,17(25)26)21-13-9-12-15-10-7-6-8-11-15/h6-8,10-11,21H,4-5,9,12-14H2,1-3H3/p+1