O4-tert-butyl O6-methyl 2-methyl-5-oxidanyl-1H-benzimidazole-4,6-dicarboxylate

Systemtic Name: O4-tert-butyl O6-methyl 2-methyl-5-oxidanyl-1H-benzimidazole-4,6-dicarboxylate Openeye Name: O4-tert-butyl O6-methyl 5-hydroxy-2-methyl-1H-benzimidazole-4,6-dicarboxylate CAS Name: 5-hydroxy-2-methyl-1H-benzimidazole-4,6-dicarboxylic acid O4-tert-butyl ester O6-methyl ester IUPAC Name: 4-O-tert-butyl 6-O-methyl 5-hydroxy-2-methyl-1H-benzimidazole-4,6-dicarboxylate Traditional Name: 5-hydroxy-2-methyl-1H-benzimidazole-4,6-dicarboxylic acid O4-tert-butyl ester O6-methyl ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C(=C2C(=O)OC(C)(C)C)O)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1)C=C(C(=C2C(=O)OC(C)(C)C)O)C(=O)OC

InChI

InChI=1S/C15H18N2O5/c1-7-16-9-6-8(13(19)21-5)12(18)10(11(9)17-7)14(20)22-15(2,3)4/h6,18H,1-5H3,(H,16,17)