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IMV

Summary
Name:5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
Formula:C17 H13 N O5
Formal charge:0
Formula weight:311.289 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
OpenEye OEToolkits1.7.05-[(2-oxo-3H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N(c1ccccc1C2)Cc3ccc4OCOc4c3C(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)c1c(CN2C(=O)Cc3ccccc23)ccc4OCOc14
SMILESCACTVS3.370OC(=O)c1c(CN2C(=O)Cc3ccccc23)ccc4OCOc14
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4
InChIInChI1.03InChI=1S/C17H13NO5/c19-14-7-10-3-1-2-4-12(10)18(14)8-11-5-6-13-16(23-9-22-13)15(11)17(20)21/h1-6H,7-9H2,(H,20,21)
InChIKeyInChI1.03WSADZPAZSYSTNO-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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