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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxy-benzoate CAS Name: 3-cyano-4-octoxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-cyano-4-octoxybenzoate Traditional Name: 3-cyano-4-octoxy-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C36H47N3O3 MolecularWeight: 569.77668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)C#N

InChI

InChI=1S/C36H47N3O3/c1-3-5-7-9-11-12-13-15-17-29-27-38-35(39-28-29)30-18-21-33(22-19-30)42-36(40)31-20-23-34(32(25-31)26-37)41-24-16-14-10-8-6-4-2/h18-23,25,27-28H,3-17,24H2,1-2H3