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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-methylphenyl)methoxy]-6-propyl-chromen-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-7-(p-tolylmethoxy)chromen-4-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-methylphenyl)methoxy]-6-propyl-1-benzopyran-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-methylphenyl)methoxy]-6-propylchromen-4-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-(4-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=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C29H28O5/c1-3-5-22-14-23-27(16-26(22)33-17-20-8-6-19(2)7-9-20)34-18-24(29(23)30)21-10-11-25-28(15-21)32-13-4-12-31-25/h6-11,14-16,18H,3-5,12-13,17H2,1-2H3