6-[3-(3-methoxypropyl)-2-(4-nitrophenyl)benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(3-methoxypropyl)-2-(4-nitrophenyl)benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[3-(3-methoxypropyl)-2-(4-nitrophenyl)benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[3-(3-methoxypropyl)-2-(4-nitrophenyl)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[3-(3-methoxypropyl)-2-(4-nitrophenyl)benzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[3-(3-methoxypropyl)-2-(4-nitrophenyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C=CC(=C2)OCCCCCC(=O)O)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C2=C(C=CC(=C2)OCCCCCC(=O)O)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-31-14-5-13-25-21-16-19(32-15-4-2-3-6-22(27)28)11-12-20(21)24-23(25)17-7-9-18(10-8-17)26(29)30/h7-12,16H,2-6,13-15H2,1H3,(H,27,28)