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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)C3=CNC4=CC=CC=C43)NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)C3=CNC4=CC=CC=C43)NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

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