ethanedioic acid; 2-methyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-methyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-methyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-methyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-methyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C19H18F3NO5 MolecularWeight: 397.34513

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC=CC=C2C1)OC3=CC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CC(C2=CC=CC=C2C1)OC3=CC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H16F3NO.C2H2O4/c1-21-10-12-4-2-3-5-15(12)16(11-21)22-14-8-6-13(7-9-14)17(18,19)20;3-1(4)2(5)6/h2-9,16H,10-11H2,1H3;(H,3,4)(H,5,6)