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(E)-but-2-enedioic acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone

(E)-but-2-enedioic acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone

Systemtic Name:(E)-but-2-enedioic acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone
Openeye Name:fumaric acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone
CAS Name:(E)-2-butenedioic acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone
IUPAC Name:(E)-but-2-enedioic acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone
Traditional Name:fumaric acid; 1H-indol-3-yl(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone
Formula: C20H19N3O5
MolecularWeight: 381.38196
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)NC(=N2)C(=O)C3=CNC4=CC=CC=C43.C(=CC(=O)O)C(=O)O


Isomeric SMILES

C1CCC2=C(C1)NC(=N2)C(=O)C3=CNC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C16H15N3O.C4H4O4/c20-15(11-9-17-12-6-2-1-5-10(11)12)16-18-13-7-3-4-8-14(13)19-16;5-3(6)1-2-4(7)8/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+


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