3-butyl-4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1H-benzimidazol-2-one

Systemtic Name: 3-butyl-4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1H-benzimidazol-2-one Openeye Name: 3-butyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]-1H-benzimidazol-2-one CAS Name: 3-butyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-benzimidazol-2-one IUPAC Name: 3-butyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-benzimidazol-2-one Traditional Name: 3-butyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]-1H-benzimidazol-2-one Formula: C18H29N3O3 MolecularWeight: 335.44116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=C2OCC(CNC(C)(C)C)O)NC1=O

Isomeric SMILES

CCCCN1C2=C(C=CC=C2OCC(CNC(C)(C)C)O)NC1=O

InChI

InChI=1S/C18H29N3O3/c1-5-6-10-21-16-14(20-17(21)23)8-7-9-15(16)24-12-13(22)11-19-18(2,3)4/h7-9,13,19,22H,5-6,10-12H2,1-4H3,(H,20,23)