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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=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/C27H30O7/c1-6-17-12-19-22(14-21(17)32-15-24(28)34-27(3,4)5)33-16(2)25(26(19)29)18-8-9-20-23(13-18)31-11-7-10-30-20/h8-9,12-14H,6-7,10-11,15H2,1-5H3