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340

Summary
Name:5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE
Formula:C18 H17 N O4
Formal charge:0
Formula weight:311.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-methoxy-1,2-dimethyl-3-(phenoxymethyl)-1H-indole-4,7-dione
OpenEye OEToolkits1.5.05-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c2c(C(=O)C(OC)=C1)c(c(n2C)C)COc3ccccc3
SMILES_CANONICALCACTVS3.341COC1=CC(=O)c2n(C)c(C)c(COc3ccccc3)c2C1=O
SMILESCACTVS3.341COC1=CC(=O)c2n(C)c(C)c(COc3ccccc3)c2C1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3
SMILESOpenEye OEToolkits1.5.0Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3
InChIInChI1.03InChI=1S/C18H17NO4/c1-11-13(10-23-12-7-5-4-6-8-12)16-17(19(11)2)14(20)9-15(22-3)18(16)21/h4-9H,10H2,1-3H3
InChIKeyInChI1.03JRPJCFILHCLEJI-UHFFFAOYSA-N

227344

PDB entries from 2024-11-13

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