3-[1-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(2,4-dimethylphenyl)-5-(4-fluorophenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propionate Formula: C21H19FNO2- MolecularWeight: 336.379463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)[O-])C

InChI

InChI=1S/C21H20FNO2/c1-14-3-10-19(15(2)13-14)23-18(9-12-21(24)25)8-11-20(23)16-4-6-17(22)7-5-16/h3-8,10-11,13H,9,12H2,1-2H3,(H,24,25)/p-1