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

Systemtic Name: methyl (E)-7-[1-(6-acetyloxyhexyl)-5-methyl-3-[(E)-3-oxidanylideneoct-1-enyl]pyrazol-4-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-(6-acetoxyhexyl)-5-methyl-3-[(E)-3-oxooct-1-enyl]pyrazol-4-yl]hept-5-enoate CAS Name: (E)-7-[1-(6-acetyloxyhexyl)-5-methyl-3-[(E)-3-oxooct-1-enyl]-4-pyrazolyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-(6-acetyloxyhexyl)-5-methyl-3-[(E)-3-oxooct-1-enyl]pyrazol-4-yl]hept-5-enoate Traditional Name: (E)-7-[1-(6-acetoxyhexyl)-3-[(E)-3-ketooct-1-enyl]-5-methyl-pyrazol-4-yl]hept-5-enoic acid methyl ester Formula: C28H44N2O5 MolecularWeight: 488.65936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2O5/c1-5-6-11-16-25(32)19-20-27-26(17-12-7-8-13-18-28(33)34-4)23(2)30(29-27)21-14-9-10-15-22-35-24(3)31/h7,12,19-20H,5-6,8-11,13-18,21-22H2,1-4H3/b12-7+,20-19+