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8CA

Summary
Name:9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
Formula:C20 H19 N O2
Formal charge:0
Formula weight:305.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
OpenEye OEToolkits1.5.09-(phenylmethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c4c1c(c3c(n1Cc2ccccc2)CCCC3)ccc4
SMILES_CANONICALCACTVS3.341OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4)c12
SMILESCACTVS3.341OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4)c12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3
InChIInChI1.03InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
InChIKeyInChI1.03VDOXYKGIKBUISK-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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