N-[4-[2-[4-(dodecanoylamino)phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]dodecanamide

Systemtic Name: N-[4-[2-[4-(dodecanoylamino)phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]dodecanamide Openeye Name: N-[4-[2-[4-(dodecanoylamino)phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]dodecanamide CAS Name: N-[4-[2-[4-(1-oxododecylamino)phenyl]-6-phenyl-4-pyrimidinyl]phenyl]dodecanamide IUPAC Name: N-[4-[2-[4-(dodecanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dodecanamide Traditional Name: N-[4-[2-[4-(lauroylamino)phenyl]-6-phenyl-pyrimidin-4-yl]phenyl]lauramide Formula: C46H62N4O2 MolecularWeight: 703.01008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)CCCCCCCCCCC

InChI

InChI=1S/C46H62N4O2/c1-3-5-7-9-11-13-15-17-22-26-44(51)47-40-32-28-38(29-33-40)43-36-42(37-24-20-19-21-25-37)49-46(50-43)39-30-34-41(35-31-39)48-45(52)27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,28-36H,3-18,22-23,26-27H2,1-2H3,(H,47,51)(H,48,52)