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

Systemtic Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enamide Openeye Name: (E)-N-(4-chlorophenyl)-2-cyano-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-propenamide IUPAC Name: (E)-N-(4-chlorophenyl)-2-cyano-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enamide Traditional Name: (E)-N-(4-chlorophenyl)-2-cyano-3-(3-isobutoxy-4-methoxy-phenyl)acrylamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C21H21ClN2O3/c1-14(2)13-27-20-11-15(4-9-19(20)26-3)10-16(12-23)21(25)24-18-7-5-17(22)6-8-18/h4-11,14H,13H2,1-3H3,(H,24,25)/b16-10+