N-[4-[5-bromanyl-7-(2-oxidanylpent-3-yn-2-yl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[4-[5-bromanyl-7-(2-oxidanylpent-3-yn-2-yl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[4-[5-bromo-7-(1-hydroxy-1-methyl-but-2-ynyl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[4-[5-bromo-7-(2-hydroxypent-3-yn-2-yl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[4-[5-bromo-7-(2-hydroxypent-3-yn-2-yl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[4-[5-bromo-7-(1-hydroxy-1-methyl-but-2-ynyl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)(C1=CC(=CC2=C1OC(=N2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4C)Br)O

Isomeric SMILES

CC#CC(C)(C1=CC(=CC2=C1OC(=N2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4C)Br)O

InChI

InChI=1S/C27H23BrN2O4/c1-4-13-27(3,32)21-14-19(28)15-22-25(21)34-26(30-22)18-9-11-20(12-10-18)29-24(31)16-33-23-8-6-5-7-17(23)2/h5-12,14-15,32H,16H2,1-3H3,(H,29,31)