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

Systemtic Name: (4-hexoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-hexoxycyclohexyl) ester IUPAC Name: (4-hexoxycyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-hexoxycyclohexyl) ester Formula: C30H44N2O3 MolecularWeight: 480.68196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O3/c1-3-5-7-9-10-12-24-22-31-29(32-23-24)25-13-15-26(16-14-25)30(33)35-28-19-17-27(18-20-28)34-21-11-8-6-4-2/h13-16,22-23,27-28H,3-12,17-21H2,1-2H3