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

Systemtic Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate Openeye Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propylchromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl]oxyacetic acid tert-butyl ester Formula: C28H32O7 MolecularWeight: 480.54948

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O7/c1-6-8-18-13-20-23(15-22(18)33-16-25(29)35-28(3,4)5)34-17(2)26(27(20)30)19-9-10-21-24(14-19)32-12-7-11-31-21/h9-10,13-15H,6-8,11-12,16H2,1-5H3