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WNB

Summary
Name:(1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid
Formula:C19 H16 Cl N O2
Formal charge:0
Formula weight:325.789 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid
OpenEye OEToolkits2.0.7(1~{S},2~{S})-2-[1-[(3-chlorophenyl)methyl]indol-2-yl]cyclopropane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C1CC1c1cc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI1.06InChI=1S/C19H16ClNO2/c20-14-6-3-4-12(8-14)11-21-17-7-2-1-5-13(17)9-18(21)15-10-16(15)19(22)23/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m0/s1
InChIKeyInChI1.06RGBCHGAFMRTILT-HOTGVXAUSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@H]1C[C@@H]1c2cc3ccccc3n2Cc4cccc(Cl)c4
SMILESCACTVS3.385OC(=O)[CH]1C[CH]1c2cc3ccccc3n2Cc4cccc(Cl)c4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)cc(n2Cc3cccc(c3)Cl)[C@H]4C[C@@H]4C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cc(n2Cc3cccc(c3)Cl)C4CC4C(=O)O

223532

PDB entries from 2024-08-07

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