(E)-but-2-enedioic acid; 4-(methylaminomethyl)-3,3-diphenyl-oxolan-2-one

Systemtic Name: (E)-but-2-enedioic acid; 4-(methylaminomethyl)-3,3-diphenyl-oxolan-2-one Openeye Name: fumaric acid; 4-(methylaminomethyl)-3,3-diphenyl-tetrahydrofuran-2-one CAS Name: (E)-2-butenedioic acid; 4-(methylaminomethyl)-3,3-diphenyl-2-oxolanone IUPAC Name: (E)-but-2-enedioic acid; 4-(methylaminomethyl)-3,3-diphenyloxolan-2-one Traditional Name: fumaric acid; 4-(methylaminomethyl)-3,3-diphenyl-tetrahydrofuran-2-one Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1COC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1COC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19NO2.C4H4O4/c1-19-12-16-13-21-17(20)18(16,14-8-4-2-5-9-14)15-10-6-3-7-11-15;5-3(6)1-2-4(7)8/h2-11,16,19H,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+