ethyl 4-cyano-4-(5-oxidanyl-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-cyano-4-(5-oxidanyl-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylate Openeye Name: ethyl 4-cyano-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-8-yl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylic acid ethyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C#N)C2=C3C(=C(C=C2)O)OCCO3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C#N)C2=C3C(=C(C=C2)O)OCCO3

InChI

InChI=1S/C18H21NO5/c1-2-22-17(21)12-5-7-18(11-19,8-6-12)13-3-4-14(20)16-15(13)23-9-10-24-16/h3-4,12,20H,2,5-10H2,1H3