2-[4-[2,3-bis(fluoranyl)-4-phenylmethoxy-butoxy]phenyl]-5-hexyl-pyrimidine

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-phenylmethoxy-butoxy]phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(4-benzyloxy-2,3-difluoro-butoxy)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(2,3-difluoro-4-phenylmethoxybutoxy)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(2,3-difluoro-4-phenylmethoxybutoxy)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(4-benzoxy-2,3-difluoro-butoxy)phenyl]-5-hexyl-pyrimidine Formula: C27H32F2N2O2 MolecularWeight: 454.551986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(COCC3=CC=CC=C3)F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(COCC3=CC=CC=C3)F)F

InChI

InChI=1S/C27H32F2N2O2/c1-2-3-4-6-11-22-16-30-27(31-17-22)23-12-14-24(15-13-23)33-20-26(29)25(28)19-32-18-21-9-7-5-8-10-21/h5,7-10,12-17,25-26H,2-4,6,11,18-20H2,1H3