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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C27H29N3O2 MolecularWeight: 427.53806

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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)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/c1-3-5-6-7-9-21-10-11-23(16-24(21)17-28)27(31)32-25-14-12-22(13-15-25)26-29-18-20(8-4-2)19-30-26/h10-16,18-19H,3-9H2,1-2H3