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A1CGA

Summary
Name:(2R,3R)-2-[(2-methoxyphenyl)methyl]-3-phenylcyclopropane-1,1-dicarboxylic acid
Formula:C19 H18 O5
Formal charge:0
Formula weight:326.343 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2R,3R)-2-[(2-methoxyphenyl)methyl]-3-phenylcyclopropane-1,1-dicarboxylic acid
OpenEye OEToolkits3.1.0.0(2~{R},3~{R})-2-[(2-methoxyphenyl)methyl]-3-phenyl-cyclopropane-1,1-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)C1(C(O)=O)C(C1Cc1ccccc1OC)c1ccccc1
InChIInChI1.06InChI=1S/C19H18O5/c1-24-15-10-6-5-9-13(15)11-14-16(12-7-3-2-4-8-12)19(14,17(20)21)18(22)23/h2-10,14,16H,11H2,1H3,(H,20,21)(H,22,23)/t14-,16+/m1/s1
InChIKeyInChI1.06CMLCGXVLXIZQIT-ZBFHGGJFSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1C[C@@H]2[C@H](c3ccccc3)C2(C(O)=O)C(O)=O
SMILESCACTVS3.385COc1ccccc1C[CH]2[CH](c3ccccc3)C2(C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1C[C@@H]2[C@@H](C2(C(=O)O)C(=O)O)c3ccccc3
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1CC2C(C2(C(=O)O)C(=O)O)c3ccccc3

254917

PDB entries from 2026-06-10

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