2-(2,3-dimethoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(2,3-dimethoxyphenyl)ethyl-bis[2-[oxo(propylamino)methoxy]ethyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C26H41N3O10 MolecularWeight: 555.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCC[NH+](CCC1=C(C(=CC=C1)OC)OC)CCOC(=O)NCCC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCNC(=O)OCC[NH+](CCC1=C(C(=CC=C1)OC)OC)CCOC(=O)NCCC.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C22H37N3O6.C4H4O4/c1-5-11-23-21(26)30-16-14-25(15-17-31-22(27)24-12-6-2)13-10-18-8-7-9-19(28-3)20(18)29-4;5-3(6)1-2-4(7)8/h7-9H,5-6,10-17H2,1-4H3,(H,23,26)(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+