2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,3-benzoxazole-6-carboxylic acid Openeye Name: 2-(7-methoxyspiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)-1,3-benzoxazole-6-carboxylic acid CAS Name: 2-(7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,3-benzoxazole-6-carboxylic acid Traditional Name: 2-(7-methoxyspiro[coumaran-2,1'-cyclopentane]-4-yl)-1,3-benzoxazole-6-carboxylic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=NC4=C(O3)C=C(C=C4)C(=O)O)CC5(O2)CCCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=NC4=C(O3)C=C(C=C4)C(=O)O)CC5(O2)CCCC5

InChI

InChI=1S/C21H19NO5/c1-25-16-7-5-13(14-11-21(27-18(14)16)8-2-3-9-21)19-22-15-6-4-12(20(23)24)10-17(15)26-19/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,24)