(E)-but-2-enedioic acid; 1-(2,3-dihydroindol-1-yl)-2-[4-(6-fluoranyl-7aH-1,2-benzoxazol-2-yl)piperidin-1-yl]ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-(2,3-dihydroindol-1-yl)-2-[4-(6-fluoranyl-7aH-1,2-benzoxazol-2-yl)piperidin-1-yl]ethanone Openeye Name: 2-[4-(6-fluoro-7aH-1,2-benzoxazol-2-yl)-1-piperidyl]-1-indolin-1-yl-ethanone; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2,3-dihydroindol-1-yl)-2-[4-(6-fluoro-7aH-1,2-benzoxazol-2-yl)-1-piperidinyl]ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-(2,3-dihydroindol-1-yl)-2-[4-(6-fluoro-7aH-1,2-benzoxazol-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-[4-(6-fluoro-7aH-indoxazen-2-yl)piperidino]-1-indolin-1-yl-ethanone; fumaric acid Formula: C26H28FN3O6 MolecularWeight: 497.515423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C3C=CC(=CC3O2)F)CC(=O)N4CCC5=CC=CC=C54.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C=C3C=CC(=CC3O2)F)CC(=O)N4CCC5=CC=CC=C54.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24FN3O2.C4H4O4/c23-18-6-5-17-14-26(28-21(17)13-18)19-8-10-24(11-9-19)15-22(27)25-12-7-16-3-1-2-4-20(16)25;5-3(6)1-2-4(7)8/h1-6,13-14,19,21H,7-12,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+