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

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-dimethylaminophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-dimethylaminophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(4-dimethylaminophenyl)methyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(dimethylamino)benzyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CC3=C(CC2C(=O)O)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CC3=C(CC2C(=O)O)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2/c1-24(2)17-7-3-13(4-8-17)11-25-12-15-9-16(20(21,22)23)6-5-14(15)10-18(25)19(26)27/h3-9,18H,10-12H2,1-2H3,(H,26,27)