(4-methoxycarbonylphenyl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO4/c1-14-12-20(15(2)24(14)19-10-8-18(23)9-11-19)22(26)28-13-16-4-6-17(7-5-16)21(25)27-3/h4-12H,13H2,1-3H3