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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(2-fluorophenyl)methoxy]-6-propyl-chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(2-fluorophenyl)methoxy]-6-propyl-chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(2-fluorophenyl)methoxy]-6-propyl-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(2-fluorophenyl)methoxy]-6-propylchromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-(2-fluorobenzyl)oxy-6-propyl-chromone Formula: C28H25FO5 MolecularWeight: 460.493503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5F

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5F

InChI

InChI=1S/C28H25FO5/c1-2-6-19-13-21-26(15-25(19)33-16-20-7-3-4-8-23(20)29)34-17-22(28(21)30)18-9-10-24-27(14-18)32-12-5-11-31-24/h3-4,7-10,13-15,17H,2,5-6,11-12,16H2,1H3