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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-(o-tolylmethoxy)chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-(2-methylbenzyl)oxy-chromone Formula: C29H28O5 MolecularWeight: 456.52962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5C

InChI

InChI=1S/C29H28O5/c1-4-20-14-23-26(16-25(20)33-17-22-9-6-5-8-18(22)2)34-19(3)28(29(23)30)21-10-11-24-27(15-21)32-13-7-12-31-24/h5-6,8-11,14-16H,4,7,12-13,17H2,1-3H3