(4-pentylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid (4-amylcyclohexyl) ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-9-21-11-17-25(18-12-21)31-27(30)24-15-13-23(14-16-24)26-28-19-22(20-29-26)10-8-6-4-2/h13-16,19-21,25H,3-12,17-18H2,1-2H3