2-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-pyridylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-pyridinylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-pyridylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H15F3N2O2 MolecularWeight: 336.30841

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C17H15F3N2O2/c18-17(19,20)13-5-4-11-8-15(16(23)24)22(9-12(11)7-13)10-14-3-1-2-6-21-14/h1-7,15H,8-10H2,(H,23,24)