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

Systemtic Name: N-[4-[5-bromanyl-7-(2-oxidanylbut-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-prop-2-ynyl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[4-[5-bromo-7-(2-hydroxybut-3-yn-2-yl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[4-[5-bromo-7-(2-hydroxybut-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-prop-2-ynyl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide Formula: C26H21BrN2O4 MolecularWeight: 505.35994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C(=CC(=C4)Br)C(C)(C#C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C(=CC(=C4)Br)C(C)(C#C)O

InChI

InChI=1S/C26H21BrN2O4/c1-4-26(3,31)20-13-18(27)14-21-24(20)33-25(29-21)17-9-11-19(12-10-17)28-23(30)15-32-22-8-6-5-7-16(22)2/h1,5-14,31H,15H2,2-3H3,(H,28,30)