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N00

Summary
Name:(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
Formula:C16 H14 Cl N O2
Formal charge:0
Formula weight:287.741 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
OpenEye OEToolkits2.0.7(2~{R})-2-(6-chloranyl-1-methyl-9~{H}-carbazol-2-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C
InChIInChI1.06InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyInChI1.06ISYVWNKBJIDJSU-SECBINFHSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C
SMILESCACTVS3.385C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)[C@@H](C)C(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C(=O)O

227111

数据于2024-11-06公开中

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