(E)-but-2-enedioic acid; 1-(1-methylindol-3-yl)-3-(5-methyl-1-prop-2-enyl-imidazol-4-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-methylindol-3-yl)-3-(5-methyl-1-prop-2-enyl-imidazol-4-yl)propan-1-one Openeye Name: 3-(1-allyl-5-methyl-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(1-methyl-3-indolyl)-3-(5-methyl-1-prop-2-enyl-4-imidazolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(1-methylindol-3-yl)-3-(5-methyl-1-prop-2-enylimidazol-4-yl)propan-1-one Traditional Name: 3-(1-allyl-5-methyl-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one; fumaric acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CC=C)CCC(=O)C2=CN(C3=CC=CC=C32)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1CC=C)CCC(=O)C2=CN(C3=CC=CC=C32)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21N3O.C4H4O4/c1-4-11-22-13-20-17(14(22)2)9-10-19(23)16-12-21(3)18-8-6-5-7-15(16)18;5-3(6)1-2-4(7)8/h4-8,12-13H,1,9-11H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+