[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H20F3NO5 MolecularWeight: 459.41451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H20F3NO5/c1-14-10-19(15(2)28(14)18-5-3-4-17(12-18)24(25,26)27)20(29)13-33-23(30)16-6-7-21-22(11-16)32-9-8-31-21/h3-7,10-12H,8-9,13H2,1-2H3