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8Q4

Summary
Name:2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
Formula:C20 H21 Cl N2 O4
Formal charge:0
Formula weight:388.845 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
OpenEye OEToolkits2.0.6[2-chloranyl-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]phenyl] hydrogen carbonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(c1cccc(\C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl
InChIInChI1.03InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24)
InChIKeyInChI1.03DQRVHKKBVNLGIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(OC(O)=O)c2
SMILESCACTVS3.385CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(OC(O)=O)c2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl
SMILESOpenEye OEToolkits2.0.6CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl

222415

건을2024-07-10부터공개중

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