4-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[2-(diethylammonio)ethylcarbamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[[2-(diethylammonio)ethylamino]-oxomethyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[2-(diethylazaniumyl)ethylcarbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[2-(diethylammonio)ethylcarbamoyl]anilino]-4-keto-butyrate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-3-20(4-2)12-11-18-17(24)13-5-7-14(8-6-13)19-15(21)9-10-16(22)23/h5-8H,3-4,9-12H2,1-2H3,(H,18,24)(H,19,21)(H,22,23)