(E)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxy-ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxy-ethanone Openeye Name: fumaric acid; 1-(4-methylpiperazin-1-yl)-2-[(2-phenyl-4-quinolyl)oxy]ethanone CAS Name: (E)-2-butenedioic acid; 1-(4-methyl-1-piperazinyl)-2-[(2-phenyl-4-quinolinyl)oxy]ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone Traditional Name: fumaric acid; 1-(4-methylpiperazino)-2-[(2-phenyl-4-quinolyl)oxy]ethanone Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)COC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H23N3O2.C4H4O4/c1-24-11-13-25(14-12-24)22(26)16-27-21-15-20(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)21;5-3(6)1-2-4(7)8/h2-10,15H,11-14,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+