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TF3

Summary
Name:N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
Formula:C20 H25 Cl N2 O2
Formal charge:0
Formula weight:360.878 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(2-aminoethyl)-2-(3-chloro-4-{[4-(1-methylethyl)benzyl]oxy}phenyl)acetamide
OpenEye OEToolkits1.5.0N-(2-aminoethyl)-2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN
SMILES_CANONICALCACTVS3.341CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1
SMILESCACTVS3.341CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN
SMILESOpenEye OEToolkits1.5.0CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN
InChIInChI1.03InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24)
InChIKeyInChI1.03DFXJYVQAAFOZDP-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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