Chemical Components in the PDB

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OZG : Summary

Code

OZG

One-letter code

X

Molecule name

[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
OpenEye OEToolkits 2.0.7 2-[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]ethanoic acid

Formula

C17 H14 O5

Formal charge

0

Molecular weight

298.29 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3
SMILES CACTVS 3.385 COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1
SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O
Canonical SMILES CACTVS 3.385 COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O

IUPAC InChI

InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)

IUPAC InChI key

UOSYUXUYPKFRGA-UHFFFAOYSA-N
OZG

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-22

Last modified at

2019-12-20

Status

Released

Obsoleted

Not Assigned