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MX9

Summary
Name:(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
Formula:C17 H15 N O4
Formal charge:0
Formula weight:297.305 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
OpenEye OEToolkits2.0.7(3-methylphenyl)methyl (3~{R})-3-oxidanyl-2-oxidanylidene-1,3-dihydroindole-7-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O
InChIInChI1.06InChI=1S/C17H15NO4/c1-10-4-2-5-11(8-10)9-22-17(21)13-7-3-6-12-14(13)18-16(20)15(12)19/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyInChI1.06BWTXNZHOZOMCDB-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(COC(=O)c2cccc3[C@@H](O)C(=O)Nc23)c1
SMILESCACTVS3.385Cc1cccc(COC(=O)c2cccc3[CH](O)C(=O)Nc23)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)COC(=O)c2cccc3c2NC(=O)[C@@H]3O
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)COC(=O)c2cccc3c2NC(=O)C3O

227111

数据于2024-11-06公开中

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