[4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecakis(fluoranyl)undecyl]phenyl]methyl 5,5-dimethyl-6-oxidanylidene-3-(phenethylcarbamoyl)-7-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-cyclopenta[c]pyridine-2-carboxylate

Systemtic Name: [4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecakis(fluoranyl)undecyl]phenyl]methyl 5,5-dimethyl-6-oxidanylidene-3-(phenethylcarbamoyl)-7-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-cyclopenta[c]pyridine-2-carboxylate Openeye Name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)phenyl]methyl 5,5-dimethyl-6-oxo-3-(phenethylcarbamoyl)-7-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-cyclopenta[c]pyridine-2-carboxylate CAS Name: 5,5-dimethyl-6-oxo-3-[oxo-(phenethylamino)methyl]-7-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-cyclopenta[c]pyridine-2-carboxylic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)phenyl]methyl ester IUPAC Name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)phenyl]methyl 5,5-dimethyl-6-oxo-3-(phenethylcarbamoyl)-7-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-cyclopenta[c]pyridine-2-carboxylate Traditional Name: 6-keto-5,5-dimethyl-3-(phenethylcarbamoyl)-7-phenyl-3-[3-(trifluoromethyl)benzyl]-1H-2-pyrindine-2-carboxylic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)benzyl] ester Formula: C52H40F22N2O4 MolecularWeight: 1174.84987

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(N(CC2=C(C1=O)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)CCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC5=CC(=CC=C5)C(F)(F)F)C(=O)NCCC6=CC=CC=C6)C

Isomeric SMILES

CC1(C2=CC(N(CC2=C(C1=O)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)CCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC5=CC(=CC=C5)C(F)(F)F)C(=O)NCCC6=CC=CC=C6)C

InChI

InChI=1S/C52H40F22N2O4/c1-41(2)36-26-42(25-32-12-9-15-34(24-32)44(55,56)57,39(78)75-23-21-29-10-5-3-6-11-29)76(27-35(36)37(38(41)77)33-13-7-4-8-14-33)40(79)80-28-31-18-16-30(17-19-31)20-22-43(53,54)45(58,59)46(60,61)47(62,63)48(64,65)49(66,67)50(68,69)51(70,71)52(72,73)74/h3-19,24,26H,20-23,25,27-28H2,1-2H3,(H,75,78)