methyl 7-oxidanyl-8-pyridin-2-yl-oct-2-ynoate

Systemtic Name: methyl 7-oxidanyl-8-pyridin-2-yl-oct-2-ynoate Openeye Name: methyl 7-hydroxy-8-(2-pyridyl)oct-2-ynoate CAS Name: 7-hydroxy-8-(2-pyridinyl)-2-octynoic acid methyl ester IUPAC Name: methyl 7-hydroxy-8-pyridin-2-yloct-2-ynoate Traditional Name: 7-hydroxy-8-(2-pyridyl)oct-2-ynoic acid methyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCC(CC1=CC=CC=N1)O

Isomeric SMILES

COC(=O)C#CCCCC(CC1=CC=CC=N1)O

InChI

InChI=1S/C14H17NO3/c1-18-14(17)9-4-2-3-8-13(16)11-12-7-5-6-10-15-12/h5-7,10,13,16H,2-3,8,11H2,1H3