5-cyano-2-(methoxymethoxy)-5-(4-methoxyphenyl)cyclohexene-1-carboxylic acid; 3-oxabicyclo[2.1.0]pentane

Systemtic Name: 5-cyano-2-(methoxymethoxy)-5-(4-methoxyphenyl)cyclohexene-1-carboxylic acid; 3-oxabicyclo[2.1.0]pentane Openeye Name: 5-cyano-2-(methoxymethoxy)-5-(4-methoxyphenyl)cyclohexene-1-carboxylic acid; 3-oxabicyclo[2.1.0]pentane CAS Name: 5-cyano-2-(methoxymethoxy)-5-(4-methoxyphenyl)-1-cyclohexenecarboxylic acid; 3-oxabicyclo[2.1.0]pentane IUPAC Name: 5-cyano-2-(methoxymethoxy)-5-(4-methoxyphenyl)cyclohexene-1-carboxylic acid; 3-oxabicyclo[2.1.0]pentane Traditional Name: 5-cyano-2-(methoxymethoxy)-5-(4-methoxyphenyl)cyclohexene-1-carboxylic acid; 3-oxabicyclo[2.1.0]pentane Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(CC(CC1)(C#N)C2=CC=C(C=C2)OC)C(=O)O.C1C2C1OC2

Isomeric SMILES

COCOC1=C(CC(CC1)(C#N)C2=CC=C(C=C2)OC)C(=O)O.C1C2C1OC2

InChI

InChI=1S/C17H19NO5.C4H6O/c1-21-11-23-15-7-8-17(10-18,9-14(15)16(19)20)12-3-5-13(22-2)6-4-12;1-3-2-5-4(1)3/h3-6H,7-9,11H2,1-2H3,(H,19,20);3-4H,1-2H2