methyl 8-(6-methylpyridin-2-yl)-7-oxidanyl-oct-2-ynoate

Systemtic Name: methyl 8-(6-methylpyridin-2-yl)-7-oxidanyl-oct-2-ynoate Openeye Name: methyl 7-hydroxy-8-(6-methyl-2-pyridyl)oct-2-ynoate CAS Name: 7-hydroxy-8-(6-methyl-2-pyridinyl)-2-octynoic acid methyl ester IUPAC Name: methyl 7-hydroxy-8-(6-methylpyridin-2-yl)oct-2-ynoate Traditional Name: 7-hydroxy-8-(6-methyl-2-pyridyl)oct-2-ynoic acid methyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CC(CCCC#CC(=O)OC)O

Isomeric SMILES

CC1=NC(=CC=C1)CC(CCCC#CC(=O)OC)O

InChI

InChI=1S/C15H19NO3/c1-12-7-6-8-13(16-12)11-14(17)9-4-3-5-10-15(18)19-2/h6-8,14,17H,3-4,9,11H2,1-2H3