[2-bromanyl-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate

Systemtic Name: [2-bromanyl-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate Openeye Name: [2-bromo-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [2-bromo-4-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-bromo-4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[5-(4-amylcyclohexyl)pyrimidin-2-yl]-2-bromo-phenyl] ester Formula: C24H31BrN2O2 MolecularWeight: 459.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)Br

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)Br

InChI

InChI=1S/C24H31BrN2O2/c1-3-5-6-7-17-8-10-18(11-9-17)20-15-26-24(27-16-20)19-12-13-22(21(25)14-19)29-23(28)4-2/h12-18H,3-11H2,1-2H3