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

Systemtic Name: (E)-but-2-enedioic acid; (1-butylindol-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone Openeye Name: (1-butylindol-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; (1-butyl-3-indolyl)-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone IUPAC Name: (E)-but-2-enedioic acid; (1-butylindol-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone Traditional Name: (1-butylindol-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanone; fumaric acid Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=NC4=C(N3)CCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=NC4=C(N3)CCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23N3O.C4H4O4/c1-2-3-12-23-13-15(14-8-4-7-11-18(14)23)19(24)20-21-16-9-5-6-10-17(16)22-20;5-3(6)1-2-4(7)8/h4,7-8,11,13H,2-3,5-6,9-10,12H2,1H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+