sodium 4,4-bis[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pentanoate

Systemtic Name: sodium 4,4-bis[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pentanoate Openeye Name: sodium 4,4-bis[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pentanoate CAS Name: sodium 4,4-bis[4-[(1-methyl-2-benzimidazolyl)methoxy]phenyl]pentanoate IUPAC Name: sodium 4,4-bis[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pentanoate Traditional Name: sodium 4,4-bis[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]valerate Formula: C35H33N4NaO4 MolecularWeight: 596.65069

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2C)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6N5C.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2C)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6N5C.[Na+]

InChI

InChI=1S/C35H34N4O4.Na/c1-35(21-20-34(40)41,24-12-16-26(17-13-24)42-22-32-36-28-8-4-6-10-30(28)38(32)2)25-14-18-27(19-15-25)43-23-33-37-29-9-5-7-11-31(29)39(33)3;/h4-19H,20-23H2,1-3H3,(H,40,41);/q;+1/p-1