[1-(2-oxidanylidene-2-pyridin-3-yl-ethoxy)-3-(propan-2-ylamino)propan-2-yl] octanoate

Systemtic Name: [1-(2-oxidanylidene-2-pyridin-3-yl-ethoxy)-3-(propan-2-ylamino)propan-2-yl] octanoate Openeye Name: [1-[(isopropylamino)methyl]-2-[2-oxo-2-(3-pyridyl)ethoxy]ethyl] octanoate CAS Name: octanoic acid [1-[2-oxo-2-(3-pyridinyl)ethoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-(2-oxo-2-pyridin-3-ylethoxy)-3-(propan-2-ylamino)propan-2-yl] octanoate Traditional Name: caprylic acid [1-[(isopropylamino)methyl]-2-[2-keto-2-(3-pyridyl)ethoxy]ethyl] ester Formula: C21H34N2O4 MolecularWeight: 378.50566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CNC(C)C)COCC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCCCCC(=O)OC(CNC(C)C)COCC(=O)C1=CN=CC=C1

InChI

InChI=1S/C21H34N2O4/c1-4-5-6-7-8-11-21(25)27-19(14-23-17(2)3)15-26-16-20(24)18-10-9-12-22-13-18/h9-10,12-13,17,19,23H,4-8,11,14-16H2,1-3H3