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

Systemtic Name: 4-[2-[3-[2-(dimethylazaniumyl)ethoxy]-4-methoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-[2-(dimethylammonio)ethoxy]-4-methoxy-phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-[2-(dimethylammonio)ethoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-[2-(dimethylazaniumyl)ethoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-[2-(dimethylammonio)ethoxy]-4-methoxy-phenyl]ethylamino]-4-keto-butyrate Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-19(2)10-11-24-15-12-13(4-5-14(15)23-3)8-9-18-16(20)6-7-17(21)22/h4-5,12H,6-11H2,1-3H3,(H,18,20)(H,21,22)