(E)-N-(2-chlorophenyl)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(2-chlorophenyl)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Openeye Name: (E)-N-(2-chlorophenyl)-2-cyano-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(2-chlorophenyl)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenamide IUPAC Name: (E)-N-(2-chlorophenyl)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide Traditional Name: (E)-N-(2-chlorophenyl)-2-cyano-3-(4-isoamoxy-3-methoxy-phenyl)acrylamide Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2Cl)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2Cl)OC

InChI

InChI=1S/C22H23ClN2O3/c1-15(2)10-11-28-20-9-8-16(13-21(20)27-3)12-17(14-24)22(26)25-19-7-5-4-6-18(19)23/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,26)/b17-12+