methyl 4-benzamido-2-methyl-5-oxidanylidene-1-phenethyl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-benzamido-2-methyl-5-oxidanylidene-1-phenethyl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl 4-benzamido-2-methyl-5-oxo-1-phenethyl-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 4-benzamido-2-methyl-5-oxo-1-phenethyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-benzamido-2-methyl-5-oxo-1-phenethyl-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 4-benzamido-5-keto-2-methyl-1-phenethyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H21F3N2O4 MolecularWeight: 446.41905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1CCC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=O)N1CCC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21F3N2O4/c1-15-18(20(30)32-2)22(23(24,25)26,27-19(29)17-11-7-4-8-12-17)21(31)28(15)14-13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3,(H,27,29)