12-[[2-(decanoylamino)-2-phenyl-ethanoyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide

Systemtic Name: 12-[[2-(decanoylamino)-2-phenyl-ethanoyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide Openeye Name: 12-[[2-(decanoylamino)-2-phenyl-acetyl]amino]-N-(4-pyridylmethyl)dodecanamide CAS Name: 12-[[1-oxo-2-(1-oxodecylamino)-2-phenylethyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide IUPAC Name: 12-[[2-(decanoylamino)-2-phenylacetyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide Traditional Name: 12-[[2-(caprylamino)-2-phenyl-acetyl]amino]-N-(4-pyridylmethyl)lauramide Formula: C36H56N4O3 MolecularWeight: 592.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C1=CC=CC=C1)C(=O)NCCCCCCCCCCCC(=O)NCC2=CC=NC=C2

Isomeric SMILES

CCCCCCCCCC(=O)NC(C1=CC=CC=C1)C(=O)NCCCCCCCCCCCC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C36H56N4O3/c1-2-3-4-5-9-13-19-24-34(42)40-35(32-21-16-15-17-22-32)36(43)38-27-20-14-11-8-6-7-10-12-18-23-33(41)39-30-31-25-28-37-29-26-31/h15-17,21-22,25-26,28-29,35H,2-14,18-20,23-24,27,30H2,1H3,(H,38,43)(H,39,41)(H,40,42)