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D40

Summary
Name:~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
Formula:C22 H24 N2 O3
Formal charge:0
Formula weight:364.438 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H24N2O3/c1-21(2,3)27-20(26)24-14-13-22(18(24)15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-19(22)25/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-,22-/m0/s1
InChIKeyInChI1.03FXVLEOBGAHQNAI-AVRDEDQJSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1c3ccccc3)C(=O)Nc4ccccc24
SMILESCACTVS3.385CC(C)(C)OC(=O)N1CC[C]2([CH]1c3ccccc3)C(=O)Nc4ccccc24
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O
SMILESOpenEye OEToolkits2.0.7CC(C)(C)OC(=O)N1CCC2(C1c3ccccc3)c4ccccc4NC2=O

222624

數據於2024-07-17公開中

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