2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1-methyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1-methyl-imidazole-4-carboxylic acid CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1-methylimidazole-4-carboxylic acid Traditional Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1-methyl-imidazole-4-carboxylic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC(=CN2C)C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC(=CN2C)C(=O)O)O

InChI

InChI=1S/C18H25N3O4/c1-18(2,3)19-9-13(22)11-25-14-7-5-12(6-8-14)16-20-15(17(23)24)10-21(16)4/h5-8,10,13,19,22H,9,11H2,1-4H3,(H,23,24)