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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-methylphenyl)methoxy]chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-(o-tolylmethoxy)chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-methylphenyl)methoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-methylphenyl)methoxy]chromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-(2-methylbenzyl)oxy-chromone Formula: C28H26O5 MolecularWeight: 442.50304

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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=CC=C5C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5C

InChI

InChI=1S/C28H26O5/c1-3-19-13-22-26(15-25(19)32-16-21-8-5-4-7-18(21)2)33-17-23(28(22)29)20-9-10-24-27(14-20)31-12-6-11-30-24/h4-5,7-10,13-15,17H,3,6,11-12,16H2,1-2H3