2-ethoxypropyl 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzoate

Systemtic Name: 2-ethoxypropyl 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzoate Openeye Name: 2-ethoxypropyl 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzoate CAS Name: 2-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]benzoic acid 2-ethoxypropyl ester IUPAC Name: 2-ethoxypropyl 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzoate Traditional Name: 2-[5-(4-amylcyclohexyl)pyrimidin-2-yl]benzoic acid 2-ethoxypropyl ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3C(=O)OCC(C)OCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3C(=O)OCC(C)OCC

InChI

InChI=1S/C27H38N2O3/c1-4-6-7-10-21-13-15-22(16-14-21)23-17-28-26(29-18-23)24-11-8-9-12-25(24)27(30)32-19-20(3)31-5-2/h8-9,11-12,17-18,20-22H,4-7,10,13-16,19H2,1-3H3