Chemical Components in the PDB

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WIL : Summary

Code

WIL

One-letter code

X

Molecule name

(1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid
OpenEye OEToolkits 2.0.7 7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid

Formula

C19 H16 O4

Formal charge

0

Molecular weight

308.328 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1cc(ccc1)c1c2cc(OC)ccc2ccc1C(=O)O
SMILES CACTVS 3.385 COc1cccc(c1)c2c(ccc3ccc(OC)cc23)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)c2c(ccc3c2cc(cc3)OC)C(=O)O
Canonical SMILES CACTVS 3.385 COc1cccc(c1)c2c(ccc3ccc(OC)cc23)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)c2c(ccc3c2cc(cc3)OC)C(=O)O

IUPAC InChI

InChI=1S/C19H16O4/c1-22-14-5-3-4-13(10-14)18-16(19(20)21)9-7-12-6-8-15(23-2)11-17(12)18/h3-11H,1-2H3,(H,20,21)

IUPAC InChI key

JDSWYBFVGFQACV-UHFFFAOYSA-N
WIL

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-12

Last modified at

2023-06-09

Status

Released

Obsoleted

Not Assigned