4-[[3-chloranyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-chloranyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-chloro-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-chloro-4-[2-(diethylammonio)ethoxy]-5-methoxyphenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-chloro-4-[2-(diethylazaniumyl)ethoxy]-5-methoxyphenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-chloro-4-[2-(diethylammonio)ethoxy]-5-methoxy-benzyl]amino]-4-keto-butyrate Formula: C18H27ClN2O5 MolecularWeight: 386.87038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O5/c1-4-21(5-2)8-9-26-18-14(19)10-13(11-15(18)25-3)12-20-16(22)6-7-17(23)24/h10-11H,4-9,12H2,1-3H3,(H,20,22)(H,23,24)