[4-(5-nonylpyrimidin-2-yl)phenyl] 1-(2-methylbutyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 1-(2-methylbutyl)cyclohexane-1-carboxylate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 1-(2-methylbutyl)cyclohexanecarboxylate CAS Name: 1-(2-methylbutyl)-1-cyclohexanecarboxylic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 1-(2-methylbutyl)cyclohexane-1-carboxylate Traditional Name: 1-(2-methylbutyl)cyclohexanecarboxylic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3(CCCCC3)CC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3(CCCCC3)CC(C)CC

InChI

InChI=1S/C31H46N2O2/c1-4-6-7-8-9-10-12-15-26-23-32-29(33-24-26)27-16-18-28(19-17-27)35-30(34)31(22-25(3)5-2)20-13-11-14-21-31/h16-19,23-25H,4-15,20-22H2,1-3H3