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Summary

Name:(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
Synonyms:(S)-carprofen
Formula:C15 H12 Cl N O2
Formal charge:0
Molecular weight:273.714 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
OpenEye OEToolkits1.7.6(2S)-2-(6-chloranyl-9H-carbazol-2-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C
InChIInChI1.03InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyInChI1.03PUXBGTOOZJQSKH-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385C[C@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1
SMILESCACTVS3.385C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O
SMILESOpenEye OEToolkits1.7.6CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O