tert-butyl 3,3-bis[(2-methylphenyl)methyl]-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1-carboxylate

Systemtic Name: tert-butyl 3,3-bis[(2-methylphenyl)methyl]-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1-carboxylate Openeye Name: tert-butyl 3,3-bis(o-tolylmethyl)-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1-carboxylate CAS Name: 3,3-bis[(2-methylphenyl)methyl]-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,3-bis[(2-methylphenyl)methyl]-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1-carboxylate Traditional Name: 3,3-bis(2-methylbenzyl)-4-triflyloxy-2,6-dihydropyridine-1-carboxylic acid tert-butyl ester Formula: C27H32F3NO5S MolecularWeight: 539.60689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CN(CC=C2OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1CC2(CN(CC=C2OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C)CC3=CC=CC=C3C

InChI

InChI=1S/C27H32F3NO5S/c1-19-10-6-8-12-21(19)16-26(17-22-13-9-7-11-20(22)2)18-31(24(32)35-25(3,4)5)15-14-23(26)36-37(33,34)27(28,29)30/h6-14H,15-18H2,1-5H3