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

Systemtic Name: 2-[2-[[3-[(4-chloranylquinolin-2-yl)methoxymethyl]phenoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[2-[[3-[(4-chloro-2-quinolyl)methoxymethyl]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[2-[[3-[(4-chloro-2-quinolinyl)methoxymethyl]phenoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[2-[[3-[(4-chloroquinolin-2-yl)methoxymethyl]phenoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[2-[[3-[(4-chloro-2-quinolyl)methoxymethyl]phenoxy]methyl]-6-methyl-phenoxy]acetonitrile Formula: C27H23ClN2O3 MolecularWeight: 458.93612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)COCC3=NC4=CC=CC=C4C(=C3)Cl)OCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)COCC3=NC4=CC=CC=C4C(=C3)Cl)OCC#N

InChI

InChI=1S/C27H23ClN2O3/c1-19-6-4-8-21(27(19)32-13-12-29)17-33-23-9-5-7-20(14-23)16-31-18-22-15-25(28)24-10-2-3-11-26(24)30-22/h2-11,14-15H,13,16-18H2,1H3