[4-(5-decylpyrimidin-2-yl)phenyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-isohexylcyclohexanecarboxylate CAS Name: 4-(4-methylpentyl)-1-cyclohexanecarboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate Traditional Name: 4-isohexylcyclohexanecarboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C33H50N2O2 MolecularWeight: 506.7623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCC(C)C

InChI

InChI=1S/C33H50N2O2/c1-4-5-6-7-8-9-10-11-14-28-24-34-32(35-25-28)29-20-22-31(23-21-29)37-33(36)30-18-16-27(17-19-30)15-12-13-26(2)3/h20-27,30H,4-19H2,1-3H3