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

Systemtic Name: 4-[[2-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[2-(diethylammonio)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[2-[2-(diethylazaniumyl)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-[2-(diethylammonio)ethoxy]-3-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=C1OC)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC=C1OC)CNC(=O)CCC(=O)[O-]

InChI

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