butyl-(3-ethoxyphenyl)-phenyl-borane; 2-[(3-ethyl-5-fluoranyl-phenyl)methyl]-1H-imidazole

Systemtic Name: butyl-(3-ethoxyphenyl)-phenyl-borane; 2-[(3-ethyl-5-fluoranyl-phenyl)methyl]-1H-imidazole Openeye Name: butyl-(3-ethoxyphenyl)-phenyl-borane; 2-[(3-ethyl-5-fluoro-phenyl)methyl]-1H-imidazole CAS Name: butyl-(3-ethoxyphenyl)-phenylborane; 2-[(3-ethyl-5-fluorophenyl)methyl]-1H-imidazole IUPAC Name: butyl-(3-ethoxyphenyl)-phenylborane; 2-[(3-ethyl-5-fluorophenyl)methyl]-1H-imidazole Traditional Name: butyl-m-phenetyl-phenyl-borane; 2-(3-ethyl-5-fluoro-benzyl)-1H-imidazole Formula: C30H36BFN2O MolecularWeight: 470.429043

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCC)(C1=CC=CC=C1)C2=CC(=CC=C2)OCC.CCC1=CC(=CC(=C1)CC2=NC=CN2)F

Isomeric SMILES

B(CCCC)(C1=CC=CC=C1)C2=CC(=CC=C2)OCC.CCC1=CC(=CC(=C1)CC2=NC=CN2)F

InChI

InChI=1S/C18H23BO.C12H13FN2/c1-3-5-14-19(16-10-7-6-8-11-16)17-12-9-13-18(15-17)20-4-2;1-2-9-5-10(7-11(13)6-9)8-12-14-3-4-15-12/h6-13,15H,3-5,14H2,1-2H3;3-7H,2,8H2,1H3,(H,14,15)