2-[2-[[3-[(4-chloranylquinolin-2-yl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-[[3-[(4-chloranylquinolin-2-yl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[2-[[3-[(4-chloro-2-quinolyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[2-[[3-[(4-chloro-2-quinolinyl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[2-[[3-[(4-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[2-[[3-[(4-chloro-2-quinolyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C(=C3)Cl)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C(=C3)Cl)OCC#N

InChI

InChI=1S/C26H21ClN2O3/c1-18-6-4-7-19(26(18)30-13-12-28)16-31-21-8-5-9-22(15-21)32-17-20-14-24(27)23-10-2-3-11-25(23)29-20/h2-11,14-15H,13,16-17H2,1H3