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

Systemtic Name: ethyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[3-(3-chlorophenyl)-1-oxopropoxy]-3-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[3-(3-chlorophenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)CCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)CCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C23H22ClNO5/c1-3-28-21-14-17(12-18(15-25)23(27)29-4-2)8-10-20(21)30-22(26)11-9-16-6-5-7-19(24)13-16/h5-8,10,12-14H,3-4,9,11H2,1-2H3/b18-12+