5-[2-(9-methylundecoxy)-3-pentyl-4-phenyl-phenyl]pyrimidine

Systemtic Name: 5-[2-(9-methylundecoxy)-3-pentyl-4-phenyl-phenyl]pyrimidine Openeye Name: 5-[2-(9-methylundecoxy)-3-pentyl-4-phenyl-phenyl]pyrimidine CAS Name: 5-[2-(9-methylundecoxy)-3-pentyl-4-phenylphenyl]pyrimidine IUPAC Name: 5-[2-(9-methylundecoxy)-3-pentyl-4-phenylphenyl]pyrimidine Traditional Name: 5-[3-amyl-2-(9-methylundecoxy)-4-phenyl-phenyl]pyrimidine Formula: C33H46N2O MolecularWeight: 486.73114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1OCCCCCCCCC(C)CC)C2=CN=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=C(C=CC(=C1OCCCCCCCCC(C)CC)C2=CN=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C33H46N2O/c1-4-6-12-20-32-30(28-18-14-11-15-19-28)21-22-31(29-24-34-26-35-25-29)33(32)36-23-16-10-8-7-9-13-17-27(3)5-2/h11,14-15,18-19,21-22,24-27H,4-10,12-13,16-17,20,23H2,1-3H3