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F28

Summary
Name:4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde
Formula:C21 H22 N2 O2
Formal charge:0
Formula weight:334.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H22N2O2/c24-15-22-13-11-18(12-14-22)23-20(17-9-5-2-6-10-17)19(21(23)25)16-7-3-1-4-8-16/h1-10,15,18-20H,11-14H2/t19-,20+/m1/s1
InChIKeyInChI1.06DIWMCVCOMCANGI-UXHICEINSA-N
SMILES_CANONICALCACTVS3.385O=CN1CCC(CC1)N2[C@H]([C@@H](C2=O)c3ccccc3)c4ccccc4
SMILESCACTVS3.385O=CN1CCC(CC1)N2[CH]([CH](C2=O)c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)[C@@H]2[C@H](N(C2=O)C3CCN(CC3)C=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C2C(N(C2=O)C3CCN(CC3)C=O)c4ccccc4

227344

PDB entries from 2024-11-13

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