[4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxy-benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxy-benzoate CAS Name: 3-cyano-4-octoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxybenzoate Traditional Name: 3-cyano-4-octoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C29H33N3O3/c1-3-5-6-7-8-9-17-34-27-16-13-24(18-25(27)19-30)29(33)35-26-14-11-23(12-15-26)28-31-20-22(10-4-2)21-32-28/h11-16,18,20-21H,3-10,17H2,1-2H3