[4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C33H41N3O3 MolecularWeight: 527.69694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

InChI

InChI=1S/C33H41N3O3/c1-4-6-8-10-12-14-26-23-35-32(36-24-26)27-15-18-30(19-16-27)39-33(37)28-17-20-31(29(21-28)22-34)38-25(3)13-11-9-7-5-2/h15-21,23-25H,4-14H2,1-3H3