2-[2-[[3-[(7-chloranylquinolin-2-yl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-[[3-[(7-chloranylquinolin-2-yl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[2-[[3-[(7-chloro-2-quinolyl)methoxy]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[2-[[3-[(7-chloro-2-quinolinyl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[2-[[3-[(7-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=C(C=CC(=C4)Cl)C=C3)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)OCC#N

InChI

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