2-[(4-cyanophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-cyanophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-cyanophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-cyanobenzyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H15F3N2O2 MolecularWeight: 360.32981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O2/c20-19(21,22)16-6-5-14-8-17(18(25)26)24(11-15(14)7-16)10-13-3-1-12(9-23)2-4-13/h1-7,17H,8,10-11H2,(H,25,26)