4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCCO2

InChI

InChI=1S/C17H19NO5/c1-21-13-3-2-12(14-15(13)23-9-8-22-14)17(10-18)6-4-11(5-7-17)16(19)20/h2-3,11H,4-9H2,1H3,(H,19,20)