[4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

InChI

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