ethyl 2-cyano-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-yl-ethanoate

Systemtic Name: ethyl 2-cyano-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-yl-ethanoate Openeye Name: ethyl 2-cyano-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-yl-acetate CAS Name: 2-cyano-2-(1'-spiro[1,5-dihydro-2,4-benzodioxepin-3,3'-cyclohexane]yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-ylacetate Traditional Name: 2-cyano-2-spiro[1,5-dihydro-2,4-benzodioxepin-3,3'-cyclohexane]-1'-yl-acetic acid ethyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1CCCC2(C1)OCC3=CC=CC=C3CO2

Isomeric SMILES

CCOC(=O)C(C#N)C1CCCC2(C1)OCC3=CC=CC=C3CO2

InChI

InChI=1S/C19H23NO4/c1-2-22-18(21)17(11-20)14-8-5-9-19(10-14)23-12-15-6-3-4-7-16(15)13-24-19/h3-4,6-7,14,17H,2,5,8-10,12-13H2,1H3