(E)-but-2-enedioic acid; 3-morpholin-4-yl-4-(1-phenylpropyl)-1,3-oxazolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-morpholin-4-yl-4-(1-phenylpropyl)-1,3-oxazolidin-2-one Openeye Name: fumaric acid; 3-morpholino-4-(1-phenylpropyl)oxazolidin-2-one CAS Name: (E)-2-butenedioic acid; 3-(4-morpholinyl)-4-(1-phenylpropyl)-2-oxazolidinone IUPAC Name: (E)-but-2-enedioic acid; 3-morpholin-4-yl-4-(1-phenylpropyl)-1,3-oxazolidin-2-one Traditional Name: fumaric acid; 3-morpholino-4-(1-phenylpropyl)oxazolidin-2-one Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1COC(=O)N1N2CCOCC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C1COC(=O)N1N2CCOCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N2O3.C4H4O4/c1-2-14(13-6-4-3-5-7-13)15-12-21-16(19)18(15)17-8-10-20-11-9-17;5-3(6)1-2-4(7)8/h3-7,14-15H,2,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+