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

Systemtic Name: 6-[2-(4-tert-butylphenyl)-3-(3-methoxypropyl)benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-(4-tert-butylphenyl)-3-(3-methoxypropyl)benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[2-(4-tert-butylphenyl)-3-(3-methoxypropyl)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[2-(4-tert-butylphenyl)-3-(3-methoxypropyl)benzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[2-(4-tert-butylphenyl)-3-(3-methoxypropyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2CCCOC)C=C(C=C3)OCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2CCCOC)C=C(C=C3)OCCCCCC(=O)O

InChI

InChI=1S/C27H36N2O4/c1-27(2,3)21-12-10-20(11-13-21)26-28-23-15-14-22(33-18-7-5-6-9-25(30)31)19-24(23)29(26)16-8-17-32-4/h10-15,19H,5-9,16-18H2,1-4H3,(H,30,31)