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

Systemtic Name: methyl (4R)-2-methyl-5-oxidanylidene-4-(pentanoylamino)-1-(phenylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4R)-1-benzyl-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4R)-2-methyl-5-oxo-4-(1-oxopentylamino)-1-(phenylmethyl)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4R)-1-benzyl-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4R)-1-benzyl-5-keto-2-methyl-4-(trifluoromethyl)-4-(valerylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H23F3N2O4 MolecularWeight: 412.40283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(C(=C(N(C1=O)CC2=CC=CC=C2)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCCCC(=O)N[C@@]1(C(=C(N(C1=O)CC2=CC=CC=C2)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O4/c1-4-5-11-15(26)24-19(20(21,22)23)16(17(27)29-3)13(2)25(18(19)28)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,24,26)/t19-/m1/s1