[4-(5-undecylpyrimidin-2-yl)phenyl] cyclopentene-1-carboxylate

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] cyclopentene-1-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] cyclopentene-1-carboxylate CAS Name: 1-cyclopentenecarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] cyclopentene-1-carboxylate Traditional Name: cyclopentene-1-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CCCC3

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CCCC3

InChI

InChI=1S/C27H36N2O2/c1-2-3-4-5-6-7-8-9-10-13-22-20-28-26(29-21-22)23-16-18-25(19-17-23)31-27(30)24-14-11-12-15-24/h14,16-21H,2-13,15H2,1H3