(E)-2-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid

Systemtic Name: (E)-2-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid Openeye Name: (E)-2-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid CAS Name: (E)-2-(3,4,5-triphenyl-1-pyrazolyl)-5-nonenoic acid IUPAC Name: (E)-2-(3,4,5-triphenylpyrazol-1-yl)non-5-enoic acid Traditional Name: (E)-2-(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:

CCCC=CCCC(C(=O)O)N1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC/C=C/CCC(C(=O)O)N1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O2/c1-2-3-4-5-15-22-26(30(33)34)32-29(25-20-13-8-14-21-25)27(23-16-9-6-10-17-23)28(31-32)24-18-11-7-12-19-24/h4-14,16-21,26H,2-3,15,22H2,1H3,(H,33,34)/b5-4+