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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CCNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)CCNC(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C17H25ClN2O5/c1-20(2)8-9-25-17-13(18)10-12(11-14(17)24-3)6-7-19-15(21)4-5-16(22)23/h10-11H,4-9H2,1-3H3,(H,19,21)(H,22,23)