4-[[5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-[2-(diethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-[2-(diethylammonio)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H25ClN2O4/c1-3-20(4-2)9-10-24-15-6-5-14(18)11-13(15)12-19-16(21)7-8-17(22)23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21)(H,22,23)