2-[2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CNC3=NC4=CC=CC=C4O3)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CNC3=NC4=CC=CC=C4O3)OCC#N

InChI

InChI=1S/C24H21N3O3/c1-17-6-4-8-19(23(17)28-13-12-25)16-29-20-9-5-7-18(14-20)15-26-24-27-21-10-2-3-11-22(21)30-24/h2-11,14H,13,15-16H2,1H3,(H,26,27)