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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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