Compound Summary
NNC 711
Compound Information
NNC 711
Compound Name: | NNC 711 |
Compound CID: | 123738 |
Synonyms: | NNC 711 |
Iupac Name: | 1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride |
InChI: | InChI=1S/C21H22N2O3.ClH/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-12H,7,13-16H2,(H,24,25);1H |
InChIKey: | YZYRTEYMUTWJPL-UHFFFAOYSA-N |
Canonical Smiles: | C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl |
Isomeric Smiles: | C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl |
Molecular Weight: | 386.9 |
Molecular Formula: | C21H23ClN2O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
NNC 711
Molecular Weight: | 386.9 |
Molecular Formula: | C21H23ClN2O3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 27 |
Complexity: | 497 |
Synonyms
NNC 711
Experimental Data
NNC 711
Experimental Data Visualization
NNC 711
Statistics Data
NNC 711
Statistics Data Visualization
NNC 711
