2-(2-cyanobutoxy)propyl 4-[4-(5-octoxypyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 2-(2-cyanobutoxy)propyl 4-[4-(5-octoxypyrimidin-2-yl)phenyl]benzoate Openeye Name: 2-(2-cyanobutoxy)propyl 4-[4-(5-octoxypyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-octoxy-2-pyrimidinyl)phenyl]benzoic acid 2-(2-cyanobutoxy)propyl ester IUPAC Name: 2-(2-cyanobutoxy)propyl 4-[4-(5-octoxypyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-octoxypyrimidin-2-yl)phenyl]benzoic acid 2-(2-cyanobutoxy)propyl ester Formula: C33H41N3O4 MolecularWeight: 543.69634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C)OCC(CC)C#N

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(C)OCC(CC)C#N

InChI

InChI=1S/C33H41N3O4/c1-4-6-7-8-9-10-19-38-31-21-35-32(36-22-31)29-15-11-27(12-16-29)28-13-17-30(18-14-28)33(37)40-23-25(3)39-24-26(5-2)20-34/h11-18,21-22,25-26H,4-10,19,23-24H2,1-3H3