(E)-but-2-enedioic acid; 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzenecarbonitrile Openeye Name: fumaric acid; 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzonitrile CAS Name: (E)-2-butenedioic acid; 3-[[3-(1-imidazolylmethyl)-1-indolyl]methyl]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzonitrile Traditional Name: fumaric acid; 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzonitrile Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C#N)CN4C=CN=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C#N)CN4C=CN=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H16N4.C4H4O4/c21-11-16-4-3-5-17(10-16)12-24-14-18(13-23-9-8-22-15-23)19-6-1-2-7-20(19)24;5-3(6)1-2-4(7)8/h1-10,14-15H,12-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+