methyl (4S)-2-methyl-5-oxidanylidene-4-(3-phenylpropanoylamino)-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-5-oxidanylidene-4-(3-phenylpropanoylamino)-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-isopropyl-2-methyl-5-oxo-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-[(1-oxo-3-phenylpropyl)amino]-1-propan-2-yl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-5-oxo-4-(3-phenylpropanoylamino)-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-(hydrocinnamoylamino)-1-isopropyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H23F3N2O4 MolecularWeight: 412.40283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C(C)C)(C(F)(F)F)NC(=O)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C(C)C)(C(F)(F)F)NC(=O)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H23F3N2O4/c1-12(2)25-13(3)16(17(27)29-4)19(18(25)28,20(21,22)23)24-15(26)11-10-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H,24,26)/t19-/m0/s1