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

Systemtic Name: 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2R)-3-(5,6-dimethyl-1-benzimidazolyl)-2-hydroxypropoxy]benzoate IUPAC Name: 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate Formula: C19H19N2O4- MolecularWeight: 339.36516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC=CC(=C3)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-12-6-17-18(7-13(12)2)21(11-20-17)9-15(22)10-25-16-5-3-4-14(8-16)19(23)24/h3-8,11,15,22H,9-10H2,1-2H3,(H,23,24)/p-1/t15-/m1/s1