(1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)OC

InChI

InChI=1S/C22H19ClN2O4/c1-3-28-20-11-15(10-18(23)22(20)27-2)7-8-21(26)29-14-16-13-25-9-5-4-6-19(25)17(16)12-24/h4-11,13H,3,14H2,1-2H3/b8-7+