2-(3-methoxy-2-propoxy-phenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(3-methoxy-2-propoxy-phenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; 2-(3-methoxy-2-propoxy-phenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; 2-(3-methoxy-2-propoxyphenyl)ethyl-bis[2-[oxo(propylamino)methoxy]ethyl]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 2-(3-methoxy-2-propoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; 2-(3-methoxy-2-propoxy-phenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]ammonium Formula: C28H45N3O10 MolecularWeight: 583.671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N3O6.C4H4O4/c1-5-12-25-23(28)32-18-15-27(16-19-33-24(29)26-13-6-2)14-11-20-9-8-10-21(30-4)22(20)31-17-7-3;5-3(6)1-2-4(7)8/h8-10H,5-7,11-19H2,1-4H3,(H,25,28)(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-