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

Systemtic Name: 1-[4-[(E)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-1-methoxy-cyclohexa-2,4-dien-1-yl]ethanone Openeye Name: 1-[4-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]but-2-enoxy]-1-methoxy-cyclohexa-2,4-dien-1-yl]ethanone CAS Name: 1-[4-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]but-2-enoxy]-1-methoxy-1-cyclohexa-2,4-dienyl]ethanone IUPAC Name: 1-[4-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-1-methoxycyclohexa-2,4-dien-1-yl]ethanone Traditional Name: 1-[4-[(E)-4-[4-(6-fluoroindoxazen-3-yl)piperidino]but-2-enoxy]-1-methoxy-cyclohexa-2,4-dien-1-yl]ethanone Formula: C25H29FN2O4 MolecularWeight: 440.507163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O4/c1-18(29)25(30-2)11-7-21(8-12-25)31-16-4-3-13-28-14-9-19(10-15-28)24-22-6-5-20(26)17-23(22)32-27-24/h3-8,11,17,19H,9-10,12-16H2,1-2H3/b4-3+