2-[2-methyl-6-[[3-(quinolin-2-ylmethoxymethyl)phenoxy]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxymethyl)phenoxy]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methyl-6-[[3-(2-quinolylmethoxymethyl)phenoxy]methyl]phenoxy]acetonitrile CAS Name: 2-[2-methyl-6-[[3-(2-quinolinylmethoxymethyl)phenoxy]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methyl-6-[[3-(quinolin-2-ylmethoxymethyl)phenoxy]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-methyl-6-[[3-(2-quinolylmethoxymethyl)phenoxy]methyl]phenoxy]acetonitrile Formula: C27H24N2O3 MolecularWeight: 424.49106

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3/c1-20-6-4-9-23(27(20)31-15-14-28)18-32-25-10-5-7-21(16-25)17-30-19-24-13-12-22-8-2-3-11-26(22)29-24/h2-13,16H,15,17-19H2,1H3