[4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-heptyl-benzoate CAS Name: 3-cyano-4-heptylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-heptylbenzoate Traditional Name: 3-cyano-4-heptyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C33H41N3O2/c1-3-5-7-9-11-12-14-26-24-35-32(36-25-26)28-18-20-31(21-19-28)38-33(37)29-17-16-27(30(22-29)23-34)15-13-10-8-6-4-2/h16-22,24-25H,3-15H2,1-2H3