2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]phenyl]ethanenitrile Openeye Name: 2-[3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]phenyl]acetonitrile CAS Name: 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile IUPAC Name: 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile Traditional Name: 2-[3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]phenyl]acetonitrile Formula: C17H16ClNO MolecularWeight: 285.76804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=CC=CC(=C2)CC#N

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=CC=CC(=C2)CC#N

InChI

InChI=1S/C17H16ClNO/c1-12-8-16(9-13(2)17(12)18)20-11-15-5-3-4-14(10-15)6-7-19/h3-5,8-10H,6,11H2,1-2H3