[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C26H28O6 MolecularWeight: 436.49692

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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)OC(=O)C(C)(C)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H28O6/c1-5-7-17-12-18-22(14-21(17)32-25(28)26(2,3)4)31-15-19(24(18)27)16-8-9-20-23(13-16)30-11-6-10-29-20/h8-9,12-15H,5-7,10-11H2,1-4H3