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

Systemtic Name: 2-(pyridin-3-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-pyridylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3-pyridinylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(pyridin-3-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-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=CN=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CN=CC=C3)C(=O)O

InChI

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