methyl (4S)-1-cyclopentyl-2-methyl-5-oxidanylidene-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-1-cyclopentyl-2-methyl-5-oxidanylidene-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-cyclopentyl-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-cyclopentyl-2-methyl-5-oxo-4-(1-oxopentylamino)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-cyclopentyl-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-cyclopentyl-5-keto-2-methyl-4-(trifluoromethyl)-4-(valerylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H25F3N2O4 MolecularWeight: 390.39731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(C(=C(N(C1=O)C2CCCC2)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCCCC(=O)N[C@]1(C(=C(N(C1=O)C2CCCC2)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H25F3N2O4/c1-4-5-10-13(24)22-17(18(19,20)21)14(15(25)27-3)11(2)23(16(17)26)12-8-6-7-9-12/h12H,4-10H2,1-3H3,(H,22,24)/t17-/m0/s1