dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(trifluoromethyl)benzyl]carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17F3N2O5 MolecularWeight: 410.34389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C19H17F3N2O5/c1-28-16(25)12-7-13(17(26)29-2)9-15(8-12)24-18(27)23-10-11-3-5-14(6-4-11)19(20,21)22/h3-9H,10H2,1-2H3,(H2,23,24,27)