6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid

Systemtic Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid Openeye Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid CAS Name: 6-(3,4,5-triphenyl-1-pyrazolyl)hexanoic acid IUPAC Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid Traditional Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c30-24(31)19-11-4-12-20-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(28-29)22-15-7-2-8-16-22/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,30,31)