Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

3ZV : Summary

Code

3ZV

One-letter code

X

Molecule name

5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one

Systematic names

ProgramVersionName
ACDLabs 12.01 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one
OpenEye OEToolkits 1.9.2 5-methoxy-2-(4-methoxyphenyl)indol-3-one

Formula

C16 H13 N O3

Formal charge

0

Molecular weight

267.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1c3cc(OC)ccc3N=C1c2ccc(OC)cc2
SMILES CACTVS 3.385 COc1ccc(cc1)C2=Nc3ccc(OC)cc3C2=O
SMILES OpenEye OEToolkits 1.9.2 COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)C2=Nc3ccc(OC)cc3C2=O
Canonical SMILES OpenEye OEToolkits 1.9.2 COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC

IUPAC InChI

InChI=1S/C16H13NO3/c1-19-11-5-3-10(4-6-11)15-16(18)13-9-12(20-2)7-8-14(13)17-15/h3-9H,1-2H3

IUPAC InChI key

VCLRIWYAOAOICS-UHFFFAOYSA-N
3ZV

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-12-19

Last modified at

2016-01-08

Status

Released

Obsoleted

Not Assigned