ethyl (E)-3-[4-[3-(4-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[3-(4-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(4-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[3-(4-chlorophenyl)-1-oxopropoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(4-chlorophenyl)propanoyloxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[3-(4-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)CCC2=CC=C(C=C2)Cl)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)CCC2=CC=C(C=C2)Cl)OC)/C#N

InChI

InChI=1S/C22H20ClNO5/c1-3-28-22(26)17(14-24)12-16-6-10-19(20(13-16)27-2)29-21(25)11-7-15-4-8-18(23)9-5-15/h4-6,8-10,12-13H,3,7,11H2,1-2H3/b17-12+