methyl 1-(furan-2-ylmethyl)-2-methyl-5-oxidanylidene-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 1-(furan-2-ylmethyl)-2-methyl-5-oxidanylidene-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-(2-furylmethyl)-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2-methyl-5-oxo-4-(1-oxopentylamino)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(pentanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-5-keto-2-methyl-4-(trifluoromethyl)-4-(valerylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H21F3N2O5 MolecularWeight: 402.36495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(C(=C(N(C1=O)CC2=CC=CO2)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCCCC(=O)NC1(C(=C(N(C1=O)CC2=CC=CO2)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O5/c1-4-5-8-13(24)22-17(18(19,20)21)14(15(25)27-3)11(2)23(16(17)26)10-12-7-6-9-28-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,22,24)