(2-chloranyl-6-fluoranyl-phenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H17ClFNO2 MolecularWeight: 357.805883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C20H17ClFNO2/c1-13-6-7-14(2)23(13)16-10-8-15(9-11-16)20(24)25-12-17-18(21)4-3-5-19(17)22/h3-11H,12H2,1-2H3