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

Systemtic Name: 4-[2-[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[2-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[2-[2-(dimethylammonio)ethoxy]-3-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=C1OC)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

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