methyl 8-isoquinolin-1-yl-7-oxidanyl-oct-2-ynoate

Systemtic Name: methyl 8-isoquinolin-1-yl-7-oxidanyl-oct-2-ynoate Openeye Name: methyl 7-hydroxy-8-(1-isoquinolyl)oct-2-ynoate CAS Name: 7-hydroxy-8-(1-isoquinolinyl)-2-octynoic acid methyl ester IUPAC Name: methyl 7-hydroxy-8-isoquinolin-1-yloct-2-ynoate Traditional Name: 7-hydroxy-8-(1-isoquinolyl)oct-2-ynoic acid methyl ester Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCC(CC1=NC=CC2=CC=CC=C21)O

Isomeric SMILES

COC(=O)C#CCCCC(CC1=NC=CC2=CC=CC=C21)O

InChI

InChI=1S/C18H19NO3/c1-22-18(21)10-4-2-3-8-15(20)13-17-16-9-6-5-7-14(16)11-12-19-17/h5-7,9,11-12,15,20H,2-3,8,13H2,1H3