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

Systemtic Name: 7-chloranyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 7-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-chloro-2-[4-(trifluoromethyl)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H15ClF3NO2 MolecularWeight: 369.76541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF3NO2/c19-15-6-3-12-8-16(17(24)25)23(10-13(12)7-15)9-11-1-4-14(5-2-11)18(20,21)22/h1-7,16H,8-10H2,(H,24,25)