[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)C2=CC(=CC=C2)F)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)C2=CC(=CC=C2)F)C

InChI

InChI=1S/C22H23FN2O3/c1-4-5-9-25-15(2)10-18(16(25)3)11-19(13-24)22(27)28-14-21(26)17-7-6-8-20(23)12-17/h6-8,10-12H,4-5,9,14H2,1-3H3/b19-11+