ethyl 1-isoquinolin-1-yl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-isoquinolin-1-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-(1-isoquinolyl)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 1-(1-isoquinolinyl)-4-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-isoquinolin-1-yl-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 1-(1-isoquinolyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C17H13F3N2O2 MolecularWeight: 334.29253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C(F)(F)F)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C(F)(F)F)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H13F3N2O2/c1-2-24-16(23)13-9-22(10-14(13)17(18,19)20)15-12-6-4-3-5-11(12)7-8-21-15/h3-10H,2H2,1H3