methyl (4S)-4-[(4-tert-butylphenyl)carbonylamino]-2-methyl-5-oxidanylidene-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-4-[(4-tert-butylphenyl)carbonylamino]-2-methyl-5-oxidanylidene-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-[(4-tert-butylbenzoyl)amino]-1-isopropyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[(4-tert-butylbenzoyl)amino]-2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-[(4-tert-butylbenzoyl)amino]-1-isopropyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H27F3N2O4 MolecularWeight: 440.45599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O4/c1-12(2)27-13(3)16(18(29)31-7)21(19(27)30,22(23,24)25)26-17(28)14-8-10-15(11-9-14)20(4,5)6/h8-12H,1-7H3,(H,26,28)/t21-/m0/s1