(E)-3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-2-cyano-N-phenethyl-acrylamide Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)Cl)OCC#C

InChI

InChI=1S/C23H21ClN2O3/c1-3-12-29-22-20(24)14-18(15-21(22)28-4-2)13-19(16-25)23(27)26-11-10-17-8-6-5-7-9-17/h1,5-9,13-15H,4,10-12H2,2H3,(H,26,27)/b19-13+