(E)-9-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid

Systemtic Name: (E)-9-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid Openeye Name: (E)-9-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid CAS Name: (E)-9-(3,4,5-triphenyl-1-pyrazolyl)-5-nonenoic acid IUPAC Name: (E)-9-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid Traditional Name: (E)-9-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid Formula: C30H30N2O2 MolecularWeight: 450.5714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCC/C=C/CCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O2/c33-27(34)22-14-3-1-2-4-15-23-32-30(26-20-12-7-13-21-26)28(24-16-8-5-9-17-24)29(31-32)25-18-10-6-11-19-25/h1-2,5-13,16-21H,3-4,14-15,22-23H2,(H,33,34)/b2-1+