2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(7-methoxyspiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-(7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(7-methoxyspiro[coumaran-2,1'-cyclopentane]-4-yl)-3H-benzimidazole-5-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)O)CC5(O2)CCCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)O)CC5(O2)CCCC5

InChI

InChI=1S/C21H20N2O4/c1-26-17-7-5-13(14-11-21(27-18(14)17)8-2-3-9-21)19-22-15-6-4-12(20(24)25)10-16(15)23-19/h4-7,10H,2-3,8-9,11H2,1H3,(H,22,23)(H,24,25)