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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2-(4-fluorophenyl)-2-oxidanylidene-ethoxy]-6-propyl-chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2-(4-fluorophenyl)-2-oxo-ethoxy]-6-propyl-chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2-(4-fluorophenyl)-2-oxoethoxy]-6-propyl-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2-(4-fluorophenyl)-2-oxoethoxy]-6-propylchromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2-(4-fluorophenyl)-2-keto-ethoxy]-6-propyl-chromone Formula: C29H25FO6 MolecularWeight: 488.503603

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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)OCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H25FO6/c1-2-4-20-13-22-27(15-26(20)36-17-24(31)18-5-8-21(30)9-6-18)35-16-23(29(22)32)19-7-10-25-28(14-19)34-12-3-11-33-25/h5-10,13-16H,2-4,11-12,17H2,1H3