[4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate CAS Name: 3-cyano-4-nonoxybenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxybenzoate Traditional Name: 3-cyano-4-nonoxy-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C33H41N3O3 MolecularWeight: 527.69694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

InChI

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