(4-butoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-butoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-butoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-butoxycyclohexyl) ester IUPAC Name: (4-butoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-butoxycyclohexyl) ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)OCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)OCCCC

InChI

InChI=1S/C28H40N2O3/c1-3-5-7-8-9-10-22-20-29-27(30-21-22)23-11-13-24(14-12-23)28(31)33-26-17-15-25(16-18-26)32-19-6-4-2/h11-14,20-21,25-26H,3-10,15-19H2,1-2H3