(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(5,6-dimethyl-1-benzimidazolyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol Traditional Name: (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-piperonyloxy-propan-2-ol Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[C@@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H22N2O4/c1-13-5-17-18(6-14(13)2)22(11-21-17)8-16(23)10-24-9-15-3-4-19-20(7-15)26-12-25-19/h3-7,11,16,23H,8-10,12H2,1-2H3/t16-/m0/s1