2-[4-chloranyl-2-methyl-6-[4-(quinolin-2-ylmethoxy)butoxymethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-chloranyl-2-methyl-6-[4-(quinolin-2-ylmethoxy)butoxymethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-chloro-2-methyl-6-[4-(2-quinolylmethoxy)butoxymethyl]phenoxy]acetonitrile CAS Name: 2-[4-chloro-2-methyl-6-[4-(2-quinolinylmethoxy)butoxymethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-chloro-2-methyl-6-[4-(quinolin-2-ylmethoxy)butoxymethyl]phenoxy]acetonitrile Traditional Name: 2-[4-chloro-2-methyl-6-[4-(2-quinolylmethoxy)butoxymethyl]phenoxy]acetonitrile Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC#N)COCCCCOCC2=NC3=CC=CC=C3C=C2)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC#N)COCCCCOCC2=NC3=CC=CC=C3C=C2)Cl

InChI

InChI=1S/C24H25ClN2O3/c1-18-14-21(25)15-20(24(18)30-13-10-26)16-28-11-4-5-12-29-17-22-9-8-19-6-2-3-7-23(19)27-22/h2-3,6-9,14-15H,4-5,11-13,16-17H2,1H3