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

Systemtic Name: 4-[2-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[4-[2-(diethylammonio)ethoxy]-3-ethoxyphenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxyphenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]ethylamino]-4-keto-butyrate Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5/c1-4-22(5-2)13-14-27-17-8-7-16(15-18(17)26-6-3)11-12-21-19(23)9-10-20(24)25/h7-8,15H,4-6,9-14H2,1-3H3,(H,21,23)(H,24,25)