methyl 1-cyclopentyl-2-methyl-5-oxidanylidene-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 1-cyclopentyl-2-methyl-5-oxidanylidene-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-cyclopentyl-2-methyl-5-oxo-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 1-cyclopentyl-2-methyl-5-oxo-4-[(1-oxo-3-phenylpropyl)amino]-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopentyl-2-methyl-5-oxo-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 1-cyclopentyl-4-(hydrocinnamoylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H25F3N2O4 MolecularWeight: 438.44011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25F3N2O4/c1-14-18(19(29)31-2)21(22(23,24)25,20(30)27(14)16-10-6-7-11-16)26-17(28)13-12-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,26,28)