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

Systemtic Name: methyl (E)-7-[3-methanoyl-5-methyl-1-(6-oxidanylhexyl)pyrazol-4-yl]hept-5-enoate Openeye Name: methyl (E)-7-[3-formyl-1-(6-hydroxyhexyl)-5-methyl-pyrazol-4-yl]hept-5-enoate CAS Name: (E)-7-[3-formyl-1-(6-hydroxyhexyl)-5-methyl-4-pyrazolyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-formyl-1-(6-hydroxyhexyl)-5-methylpyrazol-4-yl]hept-5-enoate Traditional Name: (E)-7-[3-formyl-1-(6-hydroxyhexyl)-5-methyl-pyrazol-4-yl]hept-5-enoic acid methyl ester Formula: C19H30N2O4 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCCCCO)C=O)CC=CCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CCCCCCO)C=O)C/C=C/CCCC(=O)OC

InChI

InChI=1S/C19H30N2O4/c1-16-17(11-7-3-4-8-12-19(24)25-2)18(15-23)20-21(16)13-9-5-6-10-14-22/h3,7,15,22H,4-6,8-14H2,1-2H3/b7-3+