ethyl 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylate Openeye Name: ethyl 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexanecarboxylic acid ethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C#N)C2=C3C(=C(C=C2)OC)OCCCO3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C#N)C2=C3C(=C(C=C2)OC)OCCCO3

InChI

InChI=1S/C20H25NO5/c1-3-24-19(22)14-7-9-20(13-21,10-8-14)15-5-6-16(23-2)18-17(15)25-11-4-12-26-18/h5-6,14H,3-4,7-12H2,1-2H3