O2-tert-butyl O3-methyl 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-methyl 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-methyl 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-methyl ester IUPAC Name: 2-O-tert-butyl 3-O-methyl 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-methyl ester Formula: C23H24F3NO4 MolecularWeight: 435.43617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)OC)C=C(C=C2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)OC)C=C(C=C2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H24F3NO4/c1-22(2,3)31-21(29)27-13-16-9-8-15(10-17(16)12-19(27)20(28)30-4)14-6-5-7-18(11-14)23(24,25)26/h5-11,19H,12-13H2,1-4H3