8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid

Systemtic Name: 8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid Openeye Name: 8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid CAS Name: 8-(3,4,5-triphenyl-1-pyrazolyl)octanoic acid IUPAC Name: 8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid Traditional Name: 8-(3,4,5-triphenylpyrazol-1-yl)caprylic acid Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O2/c32-26(33)21-13-2-1-3-14-22-31-29(25-19-11-6-12-20-25)27(23-15-7-4-8-16-23)28(30-31)24-17-9-5-10-18-24/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33)