4-[[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-benzyl]amino]-4-keto-butyrate Formula: C17H25ClN2O5 MolecularWeight: 372.8438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O5/c1-4-24-14-10-12(11-19-15(21)5-6-16(22)23)9-13(18)17(14)25-8-7-20(2)3/h9-10H,4-8,11H2,1-3H3,(H,19,21)(H,22,23)