2-[4-[6-(oxan-2-yloxy)hept-1-ynyl]phenyl]-5-phenylmethoxy-pyrimidine

Systemtic Name: 2-[4-[6-(oxan-2-yloxy)hept-1-ynyl]phenyl]-5-phenylmethoxy-pyrimidine Openeye Name: 5-benzyloxy-2-[4-(6-tetrahydropyran-2-yloxyhept-1-ynyl)phenyl]pyrimidine CAS Name: 2-[4-[6-(2-oxanyloxy)hept-1-ynyl]phenyl]-5-phenylmethoxypyrimidine IUPAC Name: 2-[4-[6-(oxan-2-yloxy)hept-1-ynyl]phenyl]-5-phenylmethoxypyrimidine Traditional Name: 5-benzoxy-2-[4-(6-tetrahydropyran-2-yloxyhept-1-ynyl)phenyl]pyrimidine Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC#CC1=CC=C(C=C1)C2=NC=C(C=N2)OCC3=CC=CC=C3)OC4CCCCO4

Isomeric SMILES

CC(CCCC#CC1=CC=C(C=C1)C2=NC=C(C=N2)OCC3=CC=CC=C3)OC4CCCCO4

InChI

InChI=1S/C29H32N2O3/c1-23(34-28-14-8-9-19-32-28)10-4-2-5-11-24-15-17-26(18-16-24)29-30-20-27(21-31-29)33-22-25-12-6-3-7-13-25/h3,6-7,12-13,15-18,20-21,23,28H,2,4,8-10,14,19,22H2,1H3