6-[(phenylmethyl)amino]hexyl 2-(3-oxidanylideneprop-1-ynyl)pyridine-4-carboxylate

Systemtic Name: 6-[(phenylmethyl)amino]hexyl 2-(3-oxidanylideneprop-1-ynyl)pyridine-4-carboxylate Openeye Name: 6-(benzylamino)hexyl 2-(3-oxoprop-1-ynyl)pyridine-4-carboxylate CAS Name: 2-(3-oxoprop-1-ynyl)-4-pyridinecarboxylic acid 6-[(phenylmethyl)amino]hexyl ester IUPAC Name: 6-(benzylamino)hexyl 2-(3-oxoprop-1-ynyl)pyridine-4-carboxylate Traditional Name: 2-(3-ketoprop-1-ynyl)isonicotinic acid 6-(benzylamino)hexyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCOC(=O)C2=CC(=NC=C2)C#CC=O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCOC(=O)C2=CC(=NC=C2)C#CC=O

InChI

InChI=1S/C22H24N2O3/c25-15-8-11-21-17-20(12-14-24-21)22(26)27-16-7-2-1-6-13-23-18-19-9-4-3-5-10-19/h3-5,9-10,12,14-15,17,23H,1-2,6-7,13,16,18H2