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

Systemtic Name: methyl 4-[2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propoxy]benzoate Openeye Name: methyl 4-[3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

InChI

InChI=1S/C25H24N2O4/c1-30-25(29)19-11-13-21(14-12-19)31-17-20(28)16-27-23-10-6-5-9-22(23)26-24(27)15-18-7-3-2-4-8-18/h2-14,20,28H,15-17H2,1H3