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

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-quinolin-4-yl-propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(4-quinolyl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(4-quinolinyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-quinolin-4-ylpropan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(4-quinolyl)propan-1-one Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CC=NC3=CC=CC=C23.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC=NC3=CC=CC=C23.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H15N3O.C4H4O4/c1-11-14(19-10-18-11)6-7-16(20)13-8-9-17-15-5-3-2-4-12(13)15;5-3(6)1-2-4(7)8/h2-5,8-10H,6-7H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+