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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-phenethyl-acrylamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-3-27-19-13-16(12-18(22)20(19)26-2)11-17(14-23)21(25)24-10-9-15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,25)/b17-11+