(phenylmethyl) 6-azanyl-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate Openeye Name: benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylic acid benzyl ester Formula: C22H17F3N2O3 MolecularWeight: 414.37719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H17F3N2O3/c1-13-18(21(28)29-12-14-5-3-2-4-6-14)19(17(11-26)20(27)30-13)15-7-9-16(10-8-15)22(23,24)25/h2-10,19H,12,27H2,1H3