methyl 2-(3-oxidanylidenespiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-(3-oxidanylidenespiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-(3'-oxospiro[cyclohexane-4,1'-isobenzofuran]-1-yl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3'-oxo-1-spiro[cyclohexane-4,1'-isobenzofuran]yl)-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3'-ketospiro[cyclohexane-4,1'-phthalan]-1-yl)-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3CCC4(CC3)C5=CC=CC=C5C(=O)O4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3CCC4(CC3)C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H20N2O4/c1-27-20(25)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(26)28-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)