1-[5-[(E)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-1-oxidanyl-cyclohexa-2,4-dien-1-yl]ethanone

Systemtic Name: 1-[5-[(E)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-1-oxidanyl-cyclohexa-2,4-dien-1-yl]ethanone Openeye Name: 1-[5-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]but-2-enoxy]-1-hydroxy-cyclohexa-2,4-dien-1-yl]ethanone CAS Name: 1-[5-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]but-2-enoxy]-1-hydroxy-1-cyclohexa-2,4-dienyl]ethanone IUPAC Name: 1-[5-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-1-hydroxycyclohexa-2,4-dien-1-yl]ethanone Traditional Name: 1-[5-[(E)-4-[4-(6-fluoroindoxazen-3-yl)piperidino]but-2-enoxy]-1-hydroxy-cyclohexa-2,4-dien-1-yl]ethanone Formula: C24H27FN2O4 MolecularWeight: 426.480583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(=CC=C1)OCC=CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)O

Isomeric SMILES

CC(=O)C1(CC(=CC=C1)OC/C=C/CN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)O

InChI

InChI=1S/C24H27FN2O4/c1-17(28)24(29)10-4-5-20(16-24)30-14-3-2-11-27-12-8-18(9-13-27)23-21-7-6-19(25)15-22(21)31-26-23/h2-7,10,15,18,29H,8-9,11-14,16H2,1H3/b3-2+