(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)N3CCOCC3)Cl)O

InChI

InChI=1S/C22H22ClN3O4/c1-2-30-20-13-15(12-19(23)21(20)27)11-16(14-24)22(28)25-17-3-5-18(6-4-17)26-7-9-29-10-8-26/h3-6,11-13,27H,2,7-10H2,1H3,(H,25,28)/b16-11+