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

Systemtic Name: methyl (E)-3-[4-[3-(4-chlorophenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)CCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)CCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H18ClNO5/c1-26-19-12-15(11-16(13-23)21(25)27-2)5-9-18(19)28-20(24)10-6-14-3-7-17(22)8-4-14/h3-5,7-9,11-12H,6,10H2,1-2H3/b16-11+