methyl (4R)-1-butyl-2-methyl-5-oxidanylidene-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4R)-1-butyl-2-methyl-5-oxidanylidene-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4R)-1-butyl-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4R)-1-butyl-2-methyl-5-oxo-4-(1-oxopentylamino)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4R)-1-butyl-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4R)-1-butyl-5-keto-2-methyl-4-(trifluoromethyl)-4-(valerylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H25F3N2O4 MolecularWeight: 378.38661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(C(=C(N(C1=O)CCCC)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCCCC(=O)N[C@@]1(C(=C(N(C1=O)CCCC)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C17H25F3N2O4/c1-5-7-9-12(23)21-16(17(18,19)20)13(14(24)26-4)11(3)22(15(16)25)10-8-6-2/h5-10H2,1-4H3,(H,21,23)/t16-/m1/s1