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

Systemtic Name: methyl 2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylbenzoyl)-2-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylbenzoyl)-2-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-benzylbenzoyl)-2-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H18F3NO3 MolecularWeight: 401.37843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(F)(F)F)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)C(F)(F)F)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18F3NO3/c1-13-17(21(28)29-2)18(20(26-13)22(23,24)25)19(27)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,26H,12H2,1-2H3