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

Systemtic Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate Openeye Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-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)-4-oxo-6-propylchromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid tert-butyl ester Formula: C27H30O7 MolecularWeight: 466.5229

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O7/c1-5-7-18-12-19-23(14-22(18)33-16-25(28)34-27(2,3)4)32-15-20(26(19)29)17-8-9-21-24(13-17)31-11-6-10-30-21/h8-9,12-15H,5-7,10-11,16H2,1-4H3