4-[2-[3-[2-(diethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[3-[2-(diethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-[2-(diethylammonio)ethoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-[2-(diethylammonio)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-[2-(diethylazaniumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-[2-(diethylammonio)ethoxy]phenyl]ethylamino]-4-keto-butyrate Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-3-20(4-2)12-13-24-16-7-5-6-15(14-16)10-11-19-17(21)8-9-18(22)23/h5-7,14H,3-4,8-13H2,1-2H3,(H,19,21)(H,22,23)