ethyl 8-(3,4,5-triphenylpyrazol-1-yl)octanoate

Systemtic Name: ethyl 8-(3,4,5-triphenylpyrazol-1-yl)octanoate Openeye Name: ethyl 8-(3,4,5-triphenylpyrazol-1-yl)octanoate CAS Name: 8-(3,4,5-triphenyl-1-pyrazolyl)octanoic acid ethyl ester IUPAC Name: ethyl 8-(3,4,5-triphenylpyrazol-1-yl)octanoate Traditional Name: 8-(3,4,5-triphenylpyrazol-1-yl)caprylic acid ethyl ester Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H34N2O2/c1-2-35-28(34)23-15-4-3-5-16-24-33-31(27-21-13-8-14-22-27)29(25-17-9-6-10-18-25)30(32-33)26-19-11-7-12-20-26/h6-14,17-22H,2-5,15-16,23-24H2,1H3