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

Systemtic Name: methyl 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propoxy]benzoic acid methyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(COC4=CC=C(C=C4)C(=O)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(COC4=CC=C(C=C4)C(=O)OC)O)OC

InChI

InChI=1S/C27H28N2O6/c1-32-24-13-8-18(14-25(24)33-2)15-26-28-22-6-4-5-7-23(22)29(26)16-20(30)17-35-21-11-9-19(10-12-21)27(31)34-3/h4-14,20,30H,15-17H2,1-3H3