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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C32H39N3O3 MolecularWeight: 513.67036

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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)OCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H39N3O3/c1-3-5-7-9-10-11-13-25-23-34-31(35-24-25)26-14-17-29(18-15-26)38-32(36)27-16-19-30(28(21-27)22-33)37-20-12-8-6-4-2/h14-19,21,23-24H,3-13,20H2,1-2H3