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I3N

Summary
Name:1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID
Formula:C19 H19 N O3
Formal charge:0
Formula weight:309.359 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
OpenEye OEToolkits1.5.02-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)Cc2c1cc(OC)ccc1n(c2C)Cc3ccccc3
SMILES_CANONICALCACTVS3.341COc1ccc2n(Cc3ccccc3)c(C)c(CC(O)=O)c2c1
SMILESCACTVS3.341COc1ccc2n(Cc3ccccc3)c(C)c(CC(O)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O
SMILESOpenEye OEToolkits1.5.0Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O
InChIInChI1.03InChI=1S/C19H19NO3/c1-13-16(11-19(21)22)17-10-15(23-2)8-9-18(17)20(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyInChI1.03ZEKCBTQHDTUHRJ-UHFFFAOYSA-N

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PDB entries from 2026-03-25

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