tert-butyl 2-(3-methoxy-3-oxidanylidene-propyl)-6-oxidanyl-1H-benzimidazole-4-carboxylate

Systemtic Name: tert-butyl 2-(3-methoxy-3-oxidanylidene-propyl)-6-oxidanyl-1H-benzimidazole-4-carboxylate Openeye Name: tert-butyl 6-hydroxy-2-(3-methoxy-3-oxo-propyl)-1H-benzimidazole-4-carboxylate CAS Name: 6-hydroxy-2-(3-methoxy-3-oxopropyl)-1H-benzimidazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-hydroxy-2-(3-methoxy-3-oxopropyl)-1H-benzimidazole-4-carboxylate Traditional Name: 6-hydroxy-2-(3-keto-3-methoxy-propyl)-1H-benzimidazole-4-carboxylic acid tert-butyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC2=C1N=C(N2)CCC(=O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC2=C1N=C(N2)CCC(=O)OC)O

InChI

InChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)10-7-9(19)8-11-14(10)18-12(17-11)5-6-13(20)22-4/h7-8,19H,5-6H2,1-4H3,(H,17,18)