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VHD

Summary
Name:4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL
Formula:C18 H19 N O3
Formal charge:0
Formula weight:297.348 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol
OpenEye OEToolkits1.6.11,3-dihydroisoindol-2-yl-(2,4-dihydroxy-5-propan-2-yl-phenyl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccccc2C3
SMILES_CANONICALCACTVS3.352CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccccc3C2
SMILESCACTVS3.352CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccccc3C2
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2
SMILESOpenEye OEToolkits1.6.1CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2
InChIInChI1.03InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3
InChIKeyInChI1.03DPKGPEGXWFTAIR-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

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