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

Systemtic Name: 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylic acid Openeye Name: 4-cyano-4-(7-methoxyspiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-cyano-4-(7-methoxyspiro[coumaran-2,1'-cyclopentane]-4-yl)cyclohexanecarboxylic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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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)CCCC4

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(CC3)C(=O)O)C#N)CC4(O2)CCCC4

InChI

InChI=1S/C21H25NO4/c1-25-17-5-4-16(15-12-21(26-18(15)17)8-2-3-9-21)20(13-22)10-6-14(7-11-20)19(23)24/h4-5,14H,2-3,6-12H2,1H3,(H,23,24)