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S94

Summary
Name:4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
Formula:C21 H24 N2 O2
Formal charge:0
Formula weight:336.427 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
OpenEye OEToolkits1.9.24-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC2CC2c1ccccc1)N4CCC(Oc3ccccc3)CC4
InChIInChI1.03InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1
InChIKeyInChI1.03SAKQSHLUPVUJDT-UXHICEINSA-N
SMILES_CANONICALCACTVS3.385O=C(N[C@H]1C[C@@H]1c2ccccc2)N3CC[C@@H](CC3)Oc4ccccc4
SMILESCACTVS3.385O=C(N[CH]1C[CH]1c2ccccc2)N3CC[CH](CC3)Oc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C2CC2NC(=O)N3CCC(CC3)Oc4ccccc4

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PDB entries from 2024-09-11

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