[2-bromanyl-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate

Systemtic Name: [2-bromanyl-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate Openeye Name: [2-bromo-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [2-bromo-4-[5-[1-(4-pentylcyclohexyl)ethyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-bromo-4-[5-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[5-[1-(4-amylcyclohexyl)ethyl]pyrimidin-2-yl]-2-bromo-phenyl] ester Formula: C26H35BrN2O2 MolecularWeight: 487.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O2/c1-4-6-7-8-19-9-11-20(12-10-19)18(3)22-16-28-26(29-17-22)21-13-14-24(23(27)15-21)31-25(30)5-2/h13-20H,4-12H2,1-3H3