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

Systemtic Name: methyl 2-(3-oxidanylidenespiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-(3-oxospiro[isobenzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-oxo-1'-spiro[isobenzofuran-1,4'-piperidine]yl)-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-ketospiro[phthalan-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)N3CCC4(CC3)C5=CC=CC=C5C(=O)O4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)N3CCC4(CC3)C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)