methyl (E)-7-[5-methyl-1-(6-oxidanylhexyl)-3-[(E)-3-oxidanylideneoct-1-enyl]pyrazol-4-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[5-methyl-1-(6-oxidanylhexyl)-3-[(E)-3-oxidanylideneoct-1-enyl]pyrazol-4-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-(6-hydroxyhexyl)-5-methyl-3-[(E)-3-oxooct-1-enyl]pyrazol-4-yl]hept-5-enoate CAS Name: (E)-7-[1-(6-hydroxyhexyl)-5-methyl-3-[(E)-3-oxooct-1-enyl]-4-pyrazolyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-(6-hydroxyhexyl)-5-methyl-3-[(E)-3-oxooct-1-enyl]pyrazol-4-yl]hept-5-enoate Traditional Name: (E)-7-[1-(6-hydroxyhexyl)-3-[(E)-3-ketooct-1-enyl]-5-methyl-pyrazol-4-yl]hept-5-enoic acid methyl ester Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=NN(C(=C1CC=CCCCC(=O)OC)C)CCCCCCO

Isomeric SMILES

CCCCCC(=O)/C=C/C1=NN(C(=C1C/C=C/CCCC(=O)OC)C)CCCCCCO

InChI

InChI=1S/C26H42N2O4/c1-4-5-10-15-23(30)18-19-25-24(16-11-6-7-12-17-26(31)32-3)22(2)28(27-25)20-13-8-9-14-21-29/h6,11,18-19,29H,4-5,7-10,12-17,20-21H2,1-3H3/b11-6+,19-18+