(4-hexoxycyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-hexoxycyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxycyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 4-(5-propyl-2-pyrimidinyl)benzoic acid (4-hexoxycyclohexyl) ester IUPAC Name: (4-hexoxycyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-propylpyrimidin-2-yl)benzoic acid (4-hexoxycyclohexyl) ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCC

Isomeric SMILES

CCCCCCOC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCC

InChI

InChI=1S/C26H36N2O3/c1-3-5-6-7-17-30-23-13-15-24(16-14-23)31-26(29)22-11-9-21(10-12-22)25-27-18-20(8-4-2)19-28-25/h9-12,18-19,23-24H,3-8,13-17H2,1-2H3