(3-fluoranyl-4-methoxy-phenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H20FNO3 MolecularWeight: 353.386803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C21H20FNO3/c1-14-4-5-15(2)23(14)18-9-7-17(8-10-18)21(24)26-13-16-6-11-20(25-3)19(22)12-16/h4-12H,13H2,1-3H3