3-[4-(imidazol-1-ylmethyl)phenyl]propanal

Systemtic Name: 3-[4-(imidazol-1-ylmethyl)phenyl]propanal Openeye Name: 3-[4-(imidazol-1-ylmethyl)phenyl]propanal CAS Name: 3-[4-(1-imidazolylmethyl)phenyl]propanal IUPAC Name: 3-[4-(imidazol-1-ylmethyl)phenyl]propanal Traditional Name: 3-[4-(imidazol-1-ylmethyl)phenyl]propionaldehyde Formula: C13H14N2O MolecularWeight: 214.26306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC=O)CN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CCC=O)CN2C=CN=C2

InChI

InChI=1S/C13H14N2O/c16-9-1-2-12-3-5-13(6-4-12)10-15-8-7-14-11-15/h3-9,11H,1-2,10H2