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I1A

Summary
Name:dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
Formula:C23 H29 N O6
Formal charge:0
Formula weight:415.479 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H29NO6/c1-8-13-23(19(25)28-6,20(26)29-7)14-17-15(2)24(21(27)30-22(3,4)5)18-12-10-9-11-16(17)18/h8-12H,1,13-14H2,2-7H3
InChIKeyInChI1.03VQJBZVFHBQAIGG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC
SMILESCACTVS3.385COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c2ccccc2n1C(=O)OC(C)(C)C)CC(CC=C)(C(=O)OC)C(=O)OC
SMILESOpenEye OEToolkits2.0.7Cc1c(c2ccccc2n1C(=O)OC(C)(C)C)CC(CC=C)(C(=O)OC)C(=O)OC

222415

數據於2024-07-10公開中

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