(E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-(3-fluoro-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-fluoro-4-methoxy-phenyl)acrylonitrile Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC(=C(C=C2)OC)F)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC(=C(C=C2)OC)F)/C#N)C

InChI

InChI=1S/C20H21FN2O2/c1-5-8-23-13(2)9-17(14(23)3)20(24)16(12-22)10-15-6-7-19(25-4)18(21)11-15/h6-7,9-11H,5,8H2,1-4H3/b16-10+