4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(7-methoxyspiro[3H-benzofuran-2,4'-tetrahydropyran]-4-yl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(7-methoxy-4-spiro[3H-benzofuran-2,4'-oxane]yl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(7-methoxyspiro[coumaran-2,4'-tetrahydropyran]-4-yl)cyclohexanecarboxylic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)CC4(O2)CCOCC4

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)CC4(O2)CCOCC4

InChI

InChI=1S/C21H25NO5/c1-25-17-3-2-16(20(13-22)6-4-14(5-7-20)19(23)24)15-12-21(27-18(15)17)8-10-26-11-9-21/h2-3,14H,4-12H2,1H3,(H,23,24)