methyl (E)-11-(3,4,5-triphenylpyrazol-1-yl)undec-5-enoate

Systemtic Name: methyl (E)-11-(3,4,5-triphenylpyrazol-1-yl)undec-5-enoate Openeye Name: methyl (E)-11-(3,4,5-triphenylpyrazol-1-yl)undec-5-enoate CAS Name: (E)-11-(3,4,5-triphenyl-1-pyrazolyl)-5-undecenoic acid methyl ester IUPAC Name: methyl (E)-11-(3,4,5-triphenylpyrazol-1-yl)undec-5-enoate Traditional Name: (E)-11-(3,4,5-triphenylpyrazol-1-yl)undec-5-enoic acid methyl ester Formula: C33H36N2O2 MolecularWeight: 492.65114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC/C=C/CCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H36N2O2/c1-37-30(36)25-17-6-4-2-3-5-7-18-26-35-33(29-23-15-10-16-24-29)31(27-19-11-8-12-20-27)32(34-35)28-21-13-9-14-22-28/h2,4,8-16,19-24H,3,5-7,17-18,25-26H2,1H3/b4-2+