3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propenamide IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-homoveratryl-acrylamide Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)C#N)OC

InChI

InChI=1S/C21H21BrN2O5/c1-27-17-5-4-13(10-18(17)28-2)6-7-24-21(26)15(12-23)8-14-9-16(22)20(25)19(11-14)29-3/h4-5,8-11,25H,6-7H2,1-3H3,(H,24,26)