1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2R)-3-(5,6-dimethyl-1-benzimidazolyl)-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=C2C=C(C(=C3)C)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C=NC3=C2C=C(C(=C3)C)C)O

InChI

InChI=1S/C21H24N2O3/c1-4-21(25)16-5-7-18(8-6-16)26-12-17(24)11-23-13-22-19-9-14(2)15(3)10-20(19)23/h5-10,13,17,24H,4,11-12H2,1-3H3/t17-/m1/s1