3-[3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propoxy]naphthalene-2-carboxylic acid

Systemtic Name: 3-[3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propoxy]naphthalene-2-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]naphthalene-2-carboxylic acid CAS Name: 3-[2-hydroxy-3-(2-methyl-1-benzimidazolyl)propoxy]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]naphthalene-2-carboxylic acid Traditional Name: 3-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]-2-naphthoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(COC3=CC4=CC=CC=C4C=C3C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC(COC3=CC4=CC=CC=C4C=C3C(=O)O)O

InChI

InChI=1S/C22H20N2O4/c1-14-23-19-8-4-5-9-20(19)24(14)12-17(25)13-28-21-11-16-7-3-2-6-15(16)10-18(21)22(26)27/h2-11,17,25H,12-13H2,1H3,(H,26,27)