2-(4-cyano-2-ethoxy-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ethanamide

Systemtic Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ethanamide Openeye Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide CAS Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide IUPAC Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide Traditional Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O5/c1-3-26-20-11-16(13-23)5-7-19(20)29-14-22(25)24-15(2)17-6-8-18-21(12-17)28-10-4-9-27-18/h5-8,11-12,15H,3-4,9-10,14H2,1-2H3,(H,24,25)