2-[4-chloranyl-2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methyl-phenoxy]ethanenitrile

Systemtic Name: 2-[4-chloranyl-2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methyl-phenoxy]ethanenitrile Openeye Name: 2-[4-chloro-2-[[2,2-dimethyl-3-(2-quinolylmethoxy)propoxy]methyl]-6-methyl-phenoxy]acetonitrile CAS Name: 2-[4-chloro-2-[[2,2-dimethyl-3-(2-quinolinylmethoxy)propoxy]methyl]-6-methylphenoxy]acetonitrile IUPAC Name: 2-[4-chloro-2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methylphenoxy]acetonitrile Traditional Name: 2-[4-chloro-2-[[2,2-dimethyl-3-(2-quinolylmethoxy)propoxy]methyl]-6-methyl-phenoxy]acetonitrile Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC#N)COCC(C)(C)COCC2=NC3=CC=CC=C3C=C2)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC#N)COCC(C)(C)COCC2=NC3=CC=CC=C3C=C2)Cl

InChI

InChI=1S/C25H27ClN2O3/c1-18-12-21(26)13-20(24(18)31-11-10-27)14-29-16-25(2,3)17-30-15-22-9-8-19-6-4-5-7-23(19)28-22/h4-9,12-13H,11,14-17H2,1-3H3