[4-(5-undecylpyrimidin-2-yl)phenyl] 3-ethylcyclopentene-1-carboxylate

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 3-ethylcyclopentene-1-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 3-ethylcyclopentene-1-carboxylate CAS Name: 3-ethyl-1-cyclopentenecarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 3-ethylcyclopentene-1-carboxylate Traditional Name: 3-ethylcyclopentene-1-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(CC3)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(CC3)CC

InChI

InChI=1S/C29H40N2O2/c1-3-5-6-7-8-9-10-11-12-13-24-21-30-28(31-22-24)25-16-18-27(19-17-25)33-29(32)26-15-14-23(4-2)20-26/h16-23H,3-15H2,1-2H3