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

Systemtic Name: [2-bromanyl-4-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]phenyl] propanoate Openeye Name: [2-bromo-4-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [2-bromo-4-[5-[(4-pentylcyclohexyl)methoxy]-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-bromo-4-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[5-[(4-amylcyclohexyl)methoxy]pyrimidin-2-yl]-2-bromo-phenyl] ester Formula: C25H33BrN2O3 MolecularWeight: 489.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)Br

Isomeric SMILES

CCCCCC1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)CC)Br

InChI

InChI=1S/C25H33BrN2O3/c1-3-5-6-7-18-8-10-19(11-9-18)17-30-21-15-27-25(28-16-21)20-12-13-23(22(26)14-20)31-24(29)4-2/h12-16,18-19H,3-11,17H2,1-2H3