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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-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)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-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-2-methyl-6-propyl-chromen-7-yl] ester Formula: C27H30O6 MolecularWeight: 450.5235

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C(C)(C)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C(C)(C)C

InChI

InChI=1S/C27H30O6/c1-6-8-17-13-19-22(15-21(17)33-26(29)27(3,4)5)32-16(2)24(25(19)28)18-9-10-20-23(14-18)31-12-7-11-30-20/h9-10,13-15H,6-8,11-12H2,1-5H3