2-[4-(3-methylpentoxy)phenyl]-5-undecoxy-pyrimidine

Systemtic Name: 2-[4-(3-methylpentoxy)phenyl]-5-undecoxy-pyrimidine Openeye Name: 2-[4-(3-methylpentoxy)phenyl]-5-undecoxy-pyrimidine CAS Name: 2-[4-(3-methylpentoxy)phenyl]-5-undecoxypyrimidine IUPAC Name: 2-[4-(3-methylpentoxy)phenyl]-5-undecoxypyrimidine Traditional Name: 2-[4-(3-methylpentoxy)phenyl]-5-undecoxy-pyrimidine Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CC

InChI

InChI=1S/C27H42N2O2/c1-4-6-7-8-9-10-11-12-13-19-30-26-21-28-27(29-22-26)24-14-16-25(17-15-24)31-20-18-23(3)5-2/h14-17,21-23H,4-13,18-20H2,1-3H3