3-[5-(4-bromanyl-3-methyl-phenyl)-1-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[5-(4-bromanyl-3-methyl-phenyl)-1-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(4-bromo-3-methyl-phenyl)-1-(4-phenoxyphenyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(4-bromo-3-methylphenyl)-1-(4-phenoxyphenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(4-bromo-3-methylphenyl)-1-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(4-bromo-3-methyl-phenyl)-1-(4-phenoxyphenyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C32H27BrN2O3 MolecularWeight: 567.47238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC(=C(C=C3)Br)C)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC(=C(C=C3)Br)C)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H27BrN2O3/c1-21-7-6-8-23(17-21)29(32(36)37)19-25-20-31(24-11-16-30(33)22(2)18-24)35(34-25)26-12-14-28(15-13-26)38-27-9-4-3-5-10-27/h3-18,20,29H,19H2,1-2H3,(H,36,37)