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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

InChI

InChI=1S/C30H35N3O2/c1-3-5-7-9-11-23-21-32-29(33-22-23)25-15-17-28(18-16-25)35-30(34)26-14-13-24(27(19-26)20-31)12-10-8-6-4-2/h13-19,21-22H,3-12H2,1-2H3