(E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-propan-2-ylindol-3-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-propan-2-ylindol-3-yl)propan-1-one Openeye Name: fumaric acid; 1-(1-isopropylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-propan-2-yl-3-indolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-propan-2-ylindol-3-yl)propan-1-one Traditional Name: fumaric acid; 1-(1-isopropylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CN(C3=CC=CC=C32)C(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CN(C3=CC=CC=C32)C(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21N3O.C4H4O4/c1-12(2)21-10-15(14-6-4-5-7-17(14)21)18(22)9-8-16-13(3)19-11-20-16;5-3(6)1-2-4(7)8/h4-7,10-12H,8-9H2,1-3H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+