diethyl 4-[(phenylmethyl)amino]-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[(phenylmethyl)amino]-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(benzylamino)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylate CAS Name: 4-[(phenylmethyl)amino]-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(benzylamino)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylate Traditional Name: 4-(benzylamino)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H18F6N2O4 MolecularWeight: 464.358339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C(F)(F)F)C(F)(F)F)C(=O)OCC)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C(F)(F)F)C(F)(F)F)C(=O)OCC)NCC2=CC=CC=C2

InChI

InChI=1S/C20H18F6N2O4/c1-3-31-17(29)12-14(27-10-11-8-6-5-7-9-11)13(18(30)32-4-2)16(20(24,25)26)28-15(12)19(21,22)23/h5-9H,3-4,10H2,1-2H3,(H,27,28)