(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C22H19ClO5 MolecularWeight: 398.83626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3)Cl)OCC#C

InChI

InChI=1S/C22H19ClO5/c1-3-9-28-22-17(23)12-15(13-21(22)25-2)5-7-18(24)16-6-8-19-20(14-16)27-11-4-10-26-19/h1,5-8,12-14H,4,9-11H2,2H3/b7-5+