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A1B6Q

Summary
Name:(6S)-6-{2-[(propan-2-yl)oxy]phenyl}-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Formula:C18 H20 O4
Formal charge:0
Formula weight:300.349 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(6S)-6-{2-[(propan-2-yl)oxy]phenyl}-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
OpenEye OEToolkits3.1.0.0(6~{S})-6-(2-propan-2-yloxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(C)Oc1ccccc1C1Cc2occ(c2CC1)C(=O)O
InChIInChI1.06InChI=1S/C18H20O4/c1-11(2)22-16-6-4-3-5-13(16)12-7-8-14-15(18(19)20)10-21-17(14)9-12/h3-6,10-12H,7-9H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyInChI1.06MUMINDCSKCCHKZ-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1ccccc1[C@H]2CCc3c(C2)occ3C(O)=O
SMILESCACTVS3.385CC(C)Oc1ccccc1[CH]2CCc3c(C2)occ3C(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)Oc1ccccc1[C@H]2CCc3c(coc3C2)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0CC(C)Oc1ccccc1C2CCc3c(coc3C2)C(=O)O

257179

PDB entries from 2026-07-29

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