(Z)-but-2-enedioic acid; 2-morpholin-4-ylethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)ethanoate

Systemtic Name: (Z)-but-2-enedioic acid; 2-morpholin-4-ylethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)ethanoate Openeye Name: maleic acid; 2-morpholinoethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate CAS Name: (Z)-2-butenedioic acid; 2-(2-phenyl-1,3-benzodioxol-2-yl)acetic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-morpholin-4-ylethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate Traditional Name: maleic acid; 2-(2-phenyl-1,3-benzodioxol-2-yl)acetic acid 2-morpholinoethyl ester Formula: C25H27NO9 MolecularWeight: 485.48318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)CC2(OC3=CC=CC=C3O2)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCOC(=O)CC2(OC3=CC=CC=C3O2)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23NO5.C4H4O4/c23-20(25-15-12-22-10-13-24-14-11-22)16-21(17-6-2-1-3-7-17)26-18-8-4-5-9-19(18)27-21;5-3(6)1-2-4(7)8/h1-9H,10-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-