1-cyanobutyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 1-cyanobutyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate Openeye Name: 1-cyanobutyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-undecoxy-2-pyrimidinyl)phenyl]benzoic acid 1-cyanobutyl ester IUPAC Name: 1-cyanobutyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoic acid 1-cyanobutyl ester Formula: C33H41N3O3 MolecularWeight: 527.69694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(CCC)C#N

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(CCC)C#N

InChI

InChI=1S/C33H41N3O3/c1-3-5-6-7-8-9-10-11-12-22-38-31-24-35-32(36-25-31)28-18-14-26(15-19-28)27-16-20-29(21-17-27)33(37)39-30(23-34)13-4-2/h14-21,24-25,30H,3-13,22H2,1-2H3