[2-(3-oxidanylideneprop-1-ynyl)pyridin-3-yl] 2-oxidanylidene-8-[(phenylmethyl)amino]octanoate

Systemtic Name: [2-(3-oxidanylideneprop-1-ynyl)pyridin-3-yl] 2-oxidanylidene-8-[(phenylmethyl)amino]octanoate Openeye Name: [2-(3-oxoprop-1-ynyl)-3-pyridyl] 8-(benzylamino)-2-oxo-octanoate CAS Name: 2-oxo-8-[(phenylmethyl)amino]octanoic acid [2-(3-oxoprop-1-ynyl)-3-pyridinyl] ester IUPAC Name: [2-(3-oxoprop-1-ynyl)pyridin-3-yl] 8-(benzylamino)-2-oxooctanoate Traditional Name: 8-(benzylamino)-2-keto-caprylic acid [2-(3-ketoprop-1-ynyl)-3-pyridyl] ester Formula: C23H24N2O4 MolecularWeight: 392.44766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCC(=O)C(=O)OC2=C(N=CC=C2)C#CC=O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCC(=O)C(=O)OC2=C(N=CC=C2)C#CC=O

InChI

InChI=1S/C23H24N2O4/c26-17-9-12-20-22(14-8-16-25-20)29-23(28)21(27)13-6-1-2-7-15-24-18-19-10-4-3-5-11-19/h3-5,8,10-11,14,16-17,24H,1-2,6-7,13,15,18H2