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

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

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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=C5C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5C

InChI

InChI=1S/C29H28O5/c1-3-7-21-14-23-27(16-26(21)33-17-22-9-5-4-8-19(22)2)34-18-24(29(23)30)20-10-11-25-28(15-20)32-13-6-12-31-25/h4-5,8-11,14-16,18H,3,6-7,12-13,17H2,1-2H3