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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-ethoxy-4-propargyloxy-phenyl)prop-2-en-1-one Formula: C23H22O5 MolecularWeight: 378.41778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3)OCC#C

InChI

InChI=1S/C23H22O5/c1-3-12-26-20-10-7-17(15-22(20)25-4-2)6-9-19(24)18-8-11-21-23(16-18)28-14-5-13-27-21/h1,6-11,15-16H,4-5,12-14H2,2H3/b9-6+