[4-(5-nonylpyrimidin-2-yl)phenyl] 4-oct-7-enylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-oct-7-enylcyclohexane-1-carboxylate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-oct-7-enylcyclohexanecarboxylate CAS Name: 4-oct-7-enyl-1-cyclohexanecarboxylic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-oct-7-enylcyclohexane-1-carboxylate Traditional Name: 4-oct-7-enylcyclohexanecarboxylic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C34H50N2O2 MolecularWeight: 518.773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCCC=C

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCCC=C

InChI

InChI=1S/C34H50N2O2/c1-3-5-7-9-11-13-15-17-29-26-35-33(36-27-29)30-22-24-32(25-23-30)38-34(37)31-20-18-28(19-21-31)16-14-12-10-8-6-4-2/h4,22-28,31H,2-3,5-21H2,1H3