3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-phenylmethoxy-6-propyl-chromen-4-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-phenylmethoxy-6-propyl-chromen-4-one Openeye Name: 7-benzyloxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-phenylmethoxy-6-propyl-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-phenylmethoxy-6-propylchromen-4-one Traditional Name: 7-benzoxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-chromone Formula: C28H26O5 MolecularWeight: 442.50304

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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=C5

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H26O5/c1-2-7-21-14-22-26(16-25(21)32-17-19-8-4-3-5-9-19)33-18-23(28(22)29)20-10-11-24-27(15-20)31-13-6-12-30-24/h3-5,8-11,14-16,18H,2,6-7,12-13,17H2,1H3