methyl 4-[4-fluoranyl-2-(phenylmethyl)phenyl]carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[4-fluoranyl-2-(phenylmethyl)phenyl]carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzyl-4-fluoro-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-fluoro-2-(phenylmethyl)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzyl-4-fluorobenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-benzyl-4-fluoro-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H20FNO3 MolecularWeight: 365.397503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C22H20FNO3/c1-13-19(20(14(2)24-13)22(26)27-3)21(25)18-10-9-17(23)12-16(18)11-15-7-5-4-6-8-15/h4-10,12,24H,11H2,1-3H3