4-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylamino]-4-keto-butyrate Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCNC(=O)CCC(=O)[O-])OCC[NH+]2CCOCC2

InChI

InChI=1S/C20H30N2O6/c1-2-27-18-15-16(7-8-21-19(23)5-6-20(24)25)3-4-17(18)28-14-11-22-9-12-26-13-10-22/h3-4,15H,2,5-14H2,1H3,(H,21,23)(H,24,25)