Chemical Components in the PDB

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FYH : Summary

Code

FYH

One-letter code

X

Molecule name

3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide

Formula

C19 H19 F3 N2 O3

Formal charge

0

Molecular weight

380.361 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3
Canonical SMILES CACTVS 3.385 FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3

IUPAC InChI

InChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)

IUPAC InChI key

MYWULUKAXYAFSH-UHFFFAOYSA-N
FYH

wwPDB Information

Atom count

46 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-17

Last modified at

2018-09-07

Status

Released

Obsoleted

Not Assigned