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

Systemtic Name: 4-cyano-4-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexanecarboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCCO2

Isomeric SMILES

CC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)OCCO2

InChI

InChI=1S/C17H19NO4/c1-11-2-3-13(15-14(11)21-8-9-22-15)17(10-18)6-4-12(5-7-17)16(19)20/h2-3,12H,4-9H2,1H3,(H,19,20)