methyl 6-oxidanyl-7-pyridin-2-yl-hept-2-ynoate

Systemtic Name: methyl 6-oxidanyl-7-pyridin-2-yl-hept-2-ynoate Openeye Name: methyl 6-hydroxy-7-(2-pyridyl)hept-2-ynoate CAS Name: 6-hydroxy-7-(2-pyridinyl)-2-heptynoic acid methyl ester IUPAC Name: methyl 6-hydroxy-7-pyridin-2-ylhept-2-ynoate Traditional Name: 6-hydroxy-7-(2-pyridyl)hept-2-ynoic acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-17-13(16)8-3-2-7-12(15)10-11-6-4-5-9-14-11/h4-6,9,12,15H,2,7,10H2,1H3