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

Systemtic Name: 4-[[3-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[2-(diethylammonio)ethoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-[2-(diethylazaniumyl)ethoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-[2-(diethylammonio)ethoxy]-4-methoxy-benzyl]amino]-4-keto-butyrate Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-4-20(5-2)10-11-25-16-12-14(6-7-15(16)24-3)13-19-17(21)8-9-18(22)23/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,19,21)(H,22,23)