(4S)-3-ethanoyl-4-(3-methylbutanoylamino)-5-oxidanylidene-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate

Systemtic Name: (4S)-3-ethanoyl-4-(3-methylbutanoylamino)-5-oxidanylidene-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate Openeye Name: (4S)-3-acetyl-4-(3-methylbutanoylamino)-5-oxo-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate CAS Name: (4S)-3-acetyl-4-[(3-methyl-1-oxobutyl)amino]-5-oxo-1-phenyl-4-(trifluoromethyl)-2-pyrrololate IUPAC Name: (4S)-3-acetyl-4-(3-methylbutanoylamino)-5-oxo-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate Traditional Name: (4S)-3-acetyl-4-(isovalerylamino)-5-keto-1-phenyl-4-(trifluoromethyl)-2-pyrrolin-2-olate Formula: C18H18F3N2O4- MolecularWeight: 383.34173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1(C(=C(N(C1=O)C2=CC=CC=C2)[O-])C(=O)C)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)N[C@]1(C(=C(N(C1=O)C2=CC=CC=C2)[O-])C(=O)C)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O4/c1-10(2)9-13(25)22-17(18(19,20)21)14(11(3)24)15(26)23(16(17)27)12-7-5-4-6-8-12/h4-8,10,26H,9H2,1-3H3,(H,22,25)/p-1/t17-/m0/s1