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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N

InChI

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