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

Systemtic Name: 12-[[2-(nonanoylamino)-2-phenyl-ethanoyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide Openeye Name: 12-[[2-(nonanoylamino)-2-phenyl-acetyl]amino]-N-(4-pyridylmethyl)dodecanamide CAS Name: 12-[[1-oxo-2-(1-oxononylamino)-2-phenylethyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide IUPAC Name: 12-[[2-(nonanoylamino)-2-phenylacetyl]amino]-N-(pyridin-4-ylmethyl)dodecanamide Traditional Name: 12-[[2-(pelargonylamino)-2-phenyl-acetyl]amino]-N-(4-pyridylmethyl)lauramide Formula: C35H54N4O3 MolecularWeight: 578.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H54N4O3/c1-2-3-4-5-11-18-23-33(41)39-34(31-20-15-14-16-21-31)35(42)37-26-19-13-10-8-6-7-9-12-17-22-32(40)38-29-30-24-27-36-28-25-30/h14-16,20-21,24-25,27-28,34H,2-13,17-19,22-23,26,29H2,1H3,(H,37,42)(H,38,40)(H,39,41)