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

Systemtic Name: (4S)-3-ethanoyl-5-oxidanylidene-4-(pentanoylamino)-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate Openeye Name: (4S)-3-acetyl-5-oxo-4-(pentanoylamino)-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate CAS Name: (4S)-3-acetyl-5-oxo-4-(1-oxopentylamino)-1-phenyl-4-(trifluoromethyl)-2-pyrrololate IUPAC Name: (4S)-3-acetyl-5-oxo-4-(pentanoylamino)-1-phenyl-4-(trifluoromethyl)pyrrol-2-olate Traditional Name: (4S)-3-acetyl-5-keto-1-phenyl-4-(trifluoromethyl)-4-(valerylamino)-2-pyrrolin-2-olate Formula: C18H18F3N2O4- MolecularWeight: 383.34173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=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/c1-3-4-10-13(25)22-17(18(19,20)21)14(11(2)24)15(26)23(16(17)27)12-8-6-5-7-9-12/h5-9,26H,3-4,10H2,1-2H3,(H,22,25)/p-1/t17-/m0/s1