bis[3,5-bis(trifluoromethyl)phenyl]-bis[(4S)-4-(phenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]boranuide

Systemtic Name: bis[3,5-bis(trifluoromethyl)phenyl]-bis[(4S)-4-(phenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]boranuide Openeye Name: bis[(4S)-4-benzyl-4,5-dihydrooxazol-2-yl]-bis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: bis[3,5-bis(trifluoromethyl)phenyl]-bis[(4S)-4-(phenylmethyl)-4,5-dihydrooxazol-2-yl]boranuide IUPAC Name: bis[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-bis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: bis[(4S)-4-benzyl-2-oxazolin-2-yl]-bis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C36H26BF12N2O2- MolecularWeight: 757.395678

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=NC(CO3)CC4=CC=CC=C4)C5=NC(CO5)CC6=CC=CC=C6

Isomeric SMILES

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=N[C@H](CO3)CC4=CC=CC=C4)C5=N[C@H](CO5)CC6=CC=CC=C6

InChI

InChI=1S/C36H26BF12N2O2/c38-33(39,40)23-13-24(34(41,42)43)16-27(15-23)37(31-50-29(19-52-31)11-21-7-3-1-4-8-21,32-51-30(20-53-32)12-22-9-5-2-6-10-22)28-17-25(35(44,45)46)14-26(18-28)36(47,48)49/h1-10,13-18,29-30H,11-12,19-20H2/q-1/t29-,30-/m0/s1