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

Systemtic Name: 4-[[3-[2-(diethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[2-(diethylammonio)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[2-(diethylammonio)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-[2-(diethylazaniumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-[2-(diethylammonio)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-3-19(4-2)10-11-23-15-7-5-6-14(12-15)13-18-16(20)8-9-17(21)22/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,20)(H,21,22)