6-[(phenylmethyl)amino]hexyl 2-[2-(3-oxidanylideneprop-1-ynyl)pyridin-3-yl]ethanoate

Systemtic Name: 6-[(phenylmethyl)amino]hexyl 2-[2-(3-oxidanylideneprop-1-ynyl)pyridin-3-yl]ethanoate Openeye Name: 6-(benzylamino)hexyl 2-[2-(3-oxoprop-1-ynyl)-3-pyridyl]acetate CAS Name: 2-[2-(3-oxoprop-1-ynyl)-3-pyridinyl]acetic acid 6-[(phenylmethyl)amino]hexyl ester IUPAC Name: 6-(benzylamino)hexyl 2-[2-(3-oxoprop-1-ynyl)pyridin-3-yl]acetate Traditional Name: 2-[2-(3-ketoprop-1-ynyl)-3-pyridyl]acetic acid 6-(benzylamino)hexyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCOC(=O)CC2=C(N=CC=C2)C#CC=O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCOC(=O)CC2=C(N=CC=C2)C#CC=O

InChI

InChI=1S/C23H26N2O3/c26-16-9-13-22-21(12-8-15-25-22)18-23(27)28-17-7-2-1-6-14-24-19-20-10-4-3-5-11-20/h3-5,8,10-12,15-16,24H,1-2,6-7,14,17-19H2