2-(1-benzofuran-2-yl)-3-(tert-butylamino)-3-methyl-5-propoxy-2H-1,3-oxazol-3-ium-4-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-3-(tert-butylamino)-3-methyl-5-propoxy-2H-1,3-oxazol-3-ium-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-3-(tert-butylamino)-3-methyl-5-propoxy-2H-oxazol-3-ium-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-3-(tert-butylamino)-3-methyl-5-propoxy-2H-oxazol-3-ium-4-carboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3-(tert-butylamino)-3-methyl-5-propoxy-2H-1,3-oxazol-3-ium-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-3-(tert-butylamino)-3-methyl-5-propoxy-4-oxazolin-3-ium-4-carboxylic acid Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C([N+](C(O1)C2=CC3=CC=CC=C3O2)(C)NC(C)(C)C)C(=O)O

Isomeric SMILES

CCCOC1=C([N+](C(O1)C2=CC3=CC=CC=C3O2)(C)NC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H26N2O5/c1-6-11-25-19-16(18(23)24)22(5,21-20(2,3)4)17(27-19)15-12-13-9-7-8-10-14(13)26-15/h7-10,12,17,21H,6,11H2,1-5H3/p+1