ethyl (E)-3-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC(=C1C)COC2=C(C=C(C=C2)Cl)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC(=C1C)COC2=C(C=C(C=C2)Cl)C)C)/C#N

InChI

InChI=1S/C22H22ClNO3/c1-5-26-22(25)18(12-24)11-17-8-14(2)9-19(16(17)4)13-27-21-7-6-20(23)10-15(21)3/h6-11H,5,13H2,1-4H3/b18-11+