ethyl 2-spiro[1,4-dihydroisochromene-3,4'-1,5-dihydro-2,3-benzodioxepine]-1'-ylethanoate

Systemtic Name: ethyl 2-spiro[1,4-dihydroisochromene-3,4'-1,5-dihydro-2,3-benzodioxepine]-1'-ylethanoate Openeye Name: ethyl 2-spiro[1,5-dihydro-2,3-benzodioxepine-4,3'-isochromane]-1-ylacetate CAS Name: 2-(1-spiro[1,5-dihydro-2,3-benzodioxepin-4,3'-3,4-dihydro-1H-2-benzopyran]yl)acetic acid ethyl ester IUPAC Name: ethyl 2-spiro[1,4-dihydroisochromene-3,4'-1,5-dihydro-2,3-benzodioxepine]-1'-ylacetate Traditional Name: 2-spiro[1,5-dihydro-2,3-benzodioxepin-4,3'-isochroman]-1-ylacetic acid ethyl ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C2=CC=CC=C2CC3(CC4=CC=CC=C4CO3)OO1

Isomeric SMILES

CCOC(=O)CC1C2=CC=CC=C2CC3(CC4=CC=CC=C4CO3)OO1

InChI

InChI=1S/C21H22O5/c1-2-23-20(22)11-19-18-10-6-5-8-16(18)13-21(26-25-19)12-15-7-3-4-9-17(15)14-24-21/h3-10,19H,2,11-14H2,1H3