(2S)-3-[2-[(1S)-1-azanylbutyl]-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[2-[(1S)-1-azanylbutyl]-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[2-[(1S)-1-aminobutyl]-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol CAS Name: (2S)-3-[2-[(1S)-1-aminobutyl]-5,6-dimethoxy-1-benzimidazolyl]propane-1,2-diol IUPAC Name: (2S)-3-[2-[(1S)-1-aminobutyl]-5,6-dimethoxybenzimidazol-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[2-[(1S)-1-aminobutyl]-5,6-dimethoxy-benzimidazol-1-yl]propane-1,2-diol Formula: C16H25N3O4 MolecularWeight: 323.3874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC(=C(C=C2N1CC(CO)O)OC)OC)N

Isomeric SMILES

CCC[C@@H](C1=NC2=CC(=C(C=C2N1C[C@@H](CO)O)OC)OC)N

InChI

InChI=1S/C16H25N3O4/c1-4-5-11(17)16-18-12-6-14(22-2)15(23-3)7-13(12)19(16)8-10(21)9-20/h6-7,10-11,20-21H,4-5,8-9,17H2,1-3H3/t10-,11-/m0/s1