PDB Chemical Component CMZ

Ideal Model

Chemical Description

Name (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
Synonyms (S)-1-(2,5-dimethylphenoxy)-3-morpholinopropan-2-ol
Formula C15 H23 N O3
Formal charge 0
Molecular weight 265.348 g/mol
Component type NON-POLYMER

Chemical features

Atom count 42
Chiral atom count 1
Chiral atoms C10
Bond count 43
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
Systematic name (OpenEye OEToolkits) (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-yl-propan-2-ol

Chemical Descriptors

Stereo SMILES (CACTVS) Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1
SMILES (CACTVS) Cc1ccc(C)c(OC[CH](O)CN2CCOCC2)c1
Stereo SMILES (OpenEye) Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C
InChI descriptor InChI=1/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1
InChIKey descriptor HVMGGHDPXHODHE-AWEZNQCLBG

Status Information

Last modified 2008-10-14
Created 2007-07-16
Release status REL
Processing site RCSB