methyl (4R)-1-butyl-4-[(4-tert-butylphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4R)-1-butyl-4-[(4-tert-butylphenyl)carbonylamino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4R)-1-butyl-4-[(4-tert-butylbenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4R)-1-butyl-4-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4R)-1-butyl-4-[(4-tert-butylbenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4R)-1-butyl-4-[(4-tert-butylbenzoyl)amino]-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H29F3N2O4 MolecularWeight: 454.48257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@@](C1=O)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C23H29F3N2O4/c1-7-8-13-28-14(2)17(19(30)32-6)22(20(28)31,23(24,25)26)27-18(29)15-9-11-16(12-10-15)21(3,4)5/h9-12H,7-8,13H2,1-6H3,(H,27,29)/t22-/m1/s1