(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoranyl-2-phenylmethoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoranyl-2-phenylmethoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(2-benzyloxy-5-fluoro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(2-benzoxy-5-fluoro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C25H21FO4 MolecularWeight: 404.430243

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)C3=C(C=CC(=C3)F)OCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=CC(=C3)F)OCC4=CC=CC=C4)OC1

InChI

InChI=1S/C25H21FO4/c26-20-9-12-23(30-17-19-5-2-1-3-6-19)21(16-20)22(27)10-7-18-8-11-24-25(15-18)29-14-4-13-28-24/h1-3,5-12,15-16H,4,13-14,17H2/b10-7+