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

Systemtic Name: (4-butoxycyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-butoxycyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-butoxycyclohexyl) ester IUPAC Name: (4-butoxycyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-butoxycyclohexyl) ester Formula: C25H34N2O3 MolecularWeight: 410.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)OCCCC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)OCCCC

InChI

InChI=1S/C25H34N2O3/c1-3-5-7-19-17-26-24(27-18-19)20-8-10-21(11-9-20)25(28)30-23-14-12-22(13-15-23)29-16-6-4-2/h8-11,17-18,22-23H,3-7,12-16H2,1-2H3