2-[5-bromanyl-1-[4-[3-(2-methylpropyl)phenyl]phenyl]pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-[4-[3-(2-methylpropyl)phenyl]phenyl]pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-bromo-1-[4-(3-isobutylphenyl)phenyl]pyrazol-4-yl]acetic acid CAS Name: 2-[5-bromo-1-[4-[3-(2-methylpropyl)phenyl]phenyl]-4-pyrazolyl]acetic acid IUPAC Name: 2-[5-bromo-1-[4-[3-(2-methylpropyl)phenyl]phenyl]pyrazol-4-yl]acetic acid Traditional Name: 2-[5-bromo-1-[4-(3-isobutylphenyl)phenyl]pyrazol-4-yl]acetic acid Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC(=O)O)Br

Isomeric SMILES

CC(C)CC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC(=O)O)Br

InChI

InChI=1S/C21H21BrN2O2/c1-14(2)10-15-4-3-5-17(11-15)16-6-8-19(9-7-16)24-21(22)18(13-23-24)12-20(25)26/h3-9,11,13-14H,10,12H2,1-2H3,(H,25,26)