2-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-piperonyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H16F3NO4 MolecularWeight: 379.32985

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)C(F)(F)F)CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H16F3NO4/c20-19(21,22)14-3-2-12-7-15(18(24)25)23(9-13(12)6-14)8-11-1-4-16-17(5-11)27-10-26-16/h1-6,15H,7-10H2,(H,24,25)