Chemical Components in the PDB

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DLH : Summary

Code

DLH

One-letter code

X

Molecule name

2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone

Formula

C19 H18 Cl N O3

Formal charge

0

Molecular weight

343.804 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
Canonical SMILES CACTVS 3.385 Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl

IUPAC InChI

InChI=1S/C19H18ClNO3/c20-15-7-5-14(6-8-15)13-18(22)21-11-9-19(10-12-21)23-16-3-1-2-4-17(16)24-19/h1-8H,9-13H2

IUPAC InChI key

FYEGABNDKDAYPJ-UHFFFAOYSA-N
DLH

wwPDB Information

Atom count

42 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-24

Last modified at

2018-03-29

Status

Released

Obsoleted

Not Assigned