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

Systemtic Name: 4-[2-[5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[5-chloro-2-[2-(diethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]ethylamino]-4-keto-butyrate Formula: C18H27ClN2O4 MolecularWeight: 370.87098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O4/c1-3-21(4-2)11-12-25-16-6-5-15(19)13-14(16)9-10-20-17(22)7-8-18(23)24/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,22)(H,23,24)