3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]chromen-4-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]chromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-(4-fluorobenzyl)oxy-chromone Formula: C27H23FO5 MolecularWeight: 446.466923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)F

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FO5/c1-2-18-12-21-25(14-24(18)32-15-17-4-7-20(28)8-5-17)33-16-22(27(21)29)19-6-9-23-26(13-19)31-11-3-10-30-23/h4-9,12-14,16H,2-3,10-11,15H2,1H3