methyl 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2R)-3-(5,6-dimethyl-1-benzimidazolyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC=CC(=C3)C(=O)OC)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[C@H](COC3=CC=CC(=C3)C(=O)OC)O

InChI

InChI=1S/C20H22N2O4/c1-13-7-18-19(8-14(13)2)22(12-21-18)10-16(23)11-26-17-6-4-5-15(9-17)20(24)25-3/h4-9,12,16,23H,10-11H2,1-3H3/t16-/m1/s1