4-[(2R)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 4-[(2R)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(1-benzimidazolyl)-2-hydroxypropoxy]benzoate IUPAC Name: 4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]benzoate Formula: C17H15N2O4- MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC(COC3=CC=C(C=C3)C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C[C@H](COC3=CC=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C17H16N2O4/c20-13(9-19-11-18-15-3-1-2-4-16(15)19)10-23-14-7-5-12(6-8-14)17(21)22/h1-8,11,13,20H,9-10H2,(H,21,22)/p-1/t13-/m1/s1