(E)-but-2-enedioic acid; 3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]piperidin-4-yl]-6-fluoranyl-1,2-benzoxazole

Systemtic Name: (E)-but-2-enedioic acid; 3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]piperidin-4-yl]-6-fluoranyl-1,2-benzoxazole Openeye Name: 6-fluoro-3-[1-(2-isoindolin-2-ylpropyl)-4-piperidyl]-1,2-benzoxazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]-4-piperidinyl]-6-fluoro-1,2-benzoxazole IUPAC Name: (E)-but-2-enedioic acid; 3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole Traditional Name: 6-fluoro-3-[1-(2-isoindolin-2-ylpropyl)-4-piperidyl]indoxazene; fumaric acid Formula: C27H30FN3O5 MolecularWeight: 495.542603

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)N4CC5=CC=CC=C5C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)N4CC5=CC=CC=C5C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26FN3O.C4H4O4/c1-16(27-14-18-4-2-3-5-19(18)15-27)13-26-10-8-17(9-11-26)23-21-7-6-20(24)12-22(21)28-25-23;5-3(6)1-2-4(7)8/h2-7,12,16-17H,8-11,13-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+