2-[5-(3-chlorophenyl)-2-ethyl-3,4-dimethoxy-phenyl]ethanenitrile

Systemtic Name: 2-[5-(3-chlorophenyl)-2-ethyl-3,4-dimethoxy-phenyl]ethanenitrile Openeye Name: 2-[5-(3-chlorophenyl)-2-ethyl-3,4-dimethoxy-phenyl]acetonitrile CAS Name: 2-[5-(3-chlorophenyl)-2-ethyl-3,4-dimethoxyphenyl]acetonitrile IUPAC Name: 2-[5-(3-chlorophenyl)-2-ethyl-3,4-dimethoxyphenyl]acetonitrile Traditional Name: 2-[5-(3-chlorophenyl)-2-ethyl-3,4-dimethoxy-phenyl]acetonitrile Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1OC)OC)C2=CC(=CC=C2)Cl)CC#N

Isomeric SMILES

CCC1=C(C=C(C(=C1OC)OC)C2=CC(=CC=C2)Cl)CC#N

InChI

InChI=1S/C18H18ClNO2/c1-4-15-13(8-9-20)11-16(18(22-3)17(15)21-2)12-6-5-7-14(19)10-12/h5-7,10-11H,4,8H2,1-3H3