3-(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)-2-(2-fluorophenyl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)-2-(2-fluorophenyl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)-2-(2-fluorophenyl)acrylonitrile Formula: C21H21BrFNO2 MolecularWeight: 418.299343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=CC=C2F)OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=CC=C2F)OCC

InChI

InChI=1S/C21H21BrFNO2/c1-4-14(3)26-21-18(22)11-15(12-20(21)25-5-2)10-16(13-24)17-8-6-7-9-19(17)23/h6-12,14H,4-5H2,1-3H3