methyl 5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate Openeye Name: methyl 5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate CAS Name: 5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate Traditional Name: 5-phenyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid methyl ester Formula: C16H11F3N2O2 MolecularWeight: 320.26595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(N1)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H11F3N2O2/c1-23-15(22)13-8-12-14(21-13)10(16(17,18)19)7-11(20-12)9-5-3-2-4-6-9/h2-8,21H,1H3