sodium 4-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate

Systemtic Name: sodium 4-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate Openeye Name: sodium 4-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]-4-[4-(2-quinolylmethoxy)phenyl]pentanoate CAS Name: sodium 4-[4-[(1-methyl-2-benzimidazolyl)oxy]phenyl]-4-[4-(2-quinolinylmethoxy)phenyl]pentanoate IUPAC Name: sodium 4-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate Traditional Name: sodium 4-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]-4-[4-(2-quinolylmethoxy)phenyl]valerate Formula: C35H30N3NaO4 MolecularWeight: 579.62017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC5=NC6=CC=CC=C6N5C.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC5=NC6=CC=CC=C6N5C.[Na+]

InChI

InChI=1S/C35H31N3O4.Na/c1-35(22-21-33(39)40,26-14-19-29(20-15-26)42-34-37-31-9-5-6-10-32(31)38(34)2)25-12-17-28(18-13-25)41-23-27-16-11-24-7-3-4-8-30(24)36-27;/h3-20H,21-23H2,1-2H3,(H,39,40);/q;+1/p-1