[4-[4-[4-bromanyl-3-[(2R)-2-methyl-3-oxidanyl-propoxy]-1H-pyrazol-5-yl]phenyl]cyclohexyl] butanoate

Systemtic Name: [4-[4-[4-bromanyl-3-[(2R)-2-methyl-3-oxidanyl-propoxy]-1H-pyrazol-5-yl]phenyl]cyclohexyl] butanoate Openeye Name: [4-[4-[4-bromo-3-[(2R)-3-hydroxy-2-methyl-propoxy]-1H-pyrazol-5-yl]phenyl]cyclohexyl] butanoate CAS Name: butanoic acid [4-[4-[4-bromo-3-[(2R)-3-hydroxy-2-methylpropoxy]-1H-pyrazol-5-yl]phenyl]cyclohexyl] ester IUPAC Name: [4-[4-[4-bromo-3-[(2R)-3-hydroxy-2-methylpropoxy]-1H-pyrazol-5-yl]phenyl]cyclohexyl] butanoate Traditional Name: butyric acid [4-[4-[4-bromo-3-[(2R)-3-hydroxy-2-methyl-propoxy]-1H-pyrazol-5-yl]phenyl]cyclohexyl] ester Formula: C23H31BrN2O4 MolecularWeight: 479.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=NN3)OCC(C)CO)Br

Isomeric SMILES

CCCC(=O)OC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=NN3)OC[C@H](C)CO)Br

InChI

InChI=1S/C23H31BrN2O4/c1-3-4-20(28)30-19-11-9-17(10-12-19)16-5-7-18(8-6-16)22-21(24)23(26-25-22)29-14-15(2)13-27/h5-8,15,17,19,27H,3-4,9-14H2,1-2H3,(H,25,26)/t15-,17?,19?/m1/s1