methyl 4-[[2-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]imidazolidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-3-[5-(trifluoromethyl)pyridin-2-yl]imidazolidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-oxo-3-[5-(trifluoromethyl)-2-pyridyl]imidazolidin-1-yl]methyl]benzoate CAS Name: 4-[[2-oxo-3-[5-(trifluoromethyl)-2-pyridinyl]-1-imidazolidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-3-[5-(trifluoromethyl)pyridin-2-yl]imidazolidin-1-yl]methyl]benzoate Traditional Name: 4-[[2-keto-3-[5-(trifluoromethyl)-2-pyridyl]imidazolidin-1-yl]methyl]benzoic acid methyl ester Formula: C18H16F3N3O3 MolecularWeight: 379.33315

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(C2=O)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(C2=O)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3/c1-27-16(25)13-4-2-12(3-5-13)11-23-8-9-24(17(23)26)15-7-6-14(10-22-15)18(19,20)21/h2-7,10H,8-9,11H2,1H3