[4-(5-octylpyrimidin-2-yl)phenyl] 4-octoxycyclohexane-1-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-octoxycyclohexane-1-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-octoxycyclohexanecarboxylate CAS Name: 4-octoxy-1-cyclohexanecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-octoxycyclohexane-1-carboxylate Traditional Name: 4-octoxycyclohexanecarboxylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C33H50N2O3 MolecularWeight: 522.7617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)OCCCCCCCC

InChI

InChI=1S/C33H50N2O3/c1-3-5-7-9-11-13-15-27-25-34-32(35-26-27)28-16-22-31(23-17-28)38-33(36)29-18-20-30(21-19-29)37-24-14-12-10-8-6-4-2/h16-17,22-23,25-26,29-30H,3-15,18-21,24H2,1-2H3