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

Systemtic Name: propyl 4-[3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: propyl 4-[3-(benzimidazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(1-benzimidazolyl)-2-hydroxypropoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(benzimidazol-1-yl)-2-hydroxy-propoxy]benzoic acid propyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=CC=CC=C32)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=CC=CC=C32)O

InChI

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