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

Systemtic Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: tert-butyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-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)-6-ethyl-4-oxochromen-7-yl]oxyacetate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-keto-chromen-7-yl]oxyacetic acid tert-butyl ester Formula: C26H28O7 MolecularWeight: 452.49632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C26H28O7/c1-5-16-11-18-22(13-21(16)32-15-24(27)33-26(2,3)4)31-14-19(25(18)28)17-7-8-20-23(12-17)30-10-6-9-29-20/h7-8,11-14H,5-6,9-10,15H2,1-4H3