3-[5-(4-bromanyl-3-methyl-phenyl)-2-cyclohexyl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[5-(4-bromanyl-3-methyl-phenyl)-2-cyclohexyl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(4-bromo-3-methyl-phenyl)-2-cyclohexyl-pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(4-bromo-3-methylphenyl)-2-cyclohexyl-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(4-bromo-3-methylphenyl)-2-cyclohexylpyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(4-bromo-3-methyl-phenyl)-2-cyclohexyl-pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C26H29BrN2O2 MolecularWeight: 481.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=CC(=NN2C3CCCCC3)C4=CC(=C(C=C4)Br)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=CC(=NN2C3CCCCC3)C4=CC(=C(C=C4)Br)C)C(=O)O

InChI

InChI=1S/C26H29BrN2O2/c1-17-7-6-8-19(13-17)23(26(30)31)15-22-16-25(20-11-12-24(27)18(2)14-20)28-29(22)21-9-4-3-5-10-21/h6-8,11-14,16,21,23H,3-5,9-10,15H2,1-2H3,(H,30,31)