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

Systemtic Name: methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-(7-methoxyspiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(7-methoxyspiro[coumaran-2,1'-cyclopentane]-4-yl)cyclohexanecarboxylic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-25-18-6-5-17(16-13-22(27-19(16)18)9-3-4-10-22)21(14-23)11-7-15(8-12-21)20(24)26-2/h5-6,15H,3-4,7-13H2,1-2H3