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

Systemtic Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-(7-methoxyspiro[3H-benzofuran-2,4'-tetrahydropyran]-4-yl)-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-(7-methoxy-4-spiro[3H-benzofuran-2,4'-oxane]yl)-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-(7-methoxyspiro[coumaran-2,4'-tetrahydropyran]-4-yl)-1,3-benzoxazole-5-carboxylic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=NC4=C(O3)C=CC(=C4)C(=O)O)CC5(O2)CCOCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=NC4=C(O3)C=CC(=C4)C(=O)O)CC5(O2)CCOCC5

InChI

InChI=1S/C21H19NO6/c1-25-17-5-3-13(14-11-21(28-18(14)17)6-8-26-9-7-21)19-22-15-10-12(20(23)24)2-4-16(15)27-19/h2-5,10H,6-9,11H2,1H3,(H,23,24)