Chemical Components in the PDB

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OVJ : Summary

Code

OVJ

One-letter code

X

Molecule name

{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
OpenEye OEToolkits 2.0.7 2-[6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl]ethanoic acid

Formula

C17 H15 N O4

Formal charge

0

Molecular weight

297.305 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3
SMILES CACTVS 3.385 COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O
Canonical SMILES CACTVS 3.385 COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O

IUPAC InChI

InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20)

IUPAC InChI key

MFCXHNGDMBSNNX-UHFFFAOYSA-N
OVJ

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-09

Last modified at

2019-11-01

Status

Released

Obsoleted

Not Assigned