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

Systemtic Name: (4-hexoxycyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxycyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-hexoxycyclohexyl) ester IUPAC Name: (4-hexoxycyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-hexoxycyclohexyl) ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3/c1-3-5-7-8-18-31-24-14-16-25(17-15-24)32-27(30)23-12-10-22(11-13-23)26-28-19-21(20-29-26)9-6-4-2/h10-13,19-20,24-25H,3-9,14-18H2,1-2H3