methyl 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-7-oxidanyl-oct-2-ynoate

Systemtic Name: methyl 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-7-oxidanyl-oct-2-ynoate Openeye Name: methyl 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-7-hydroxy-oct-2-ynoate CAS Name: 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-7-hydroxy-2-octynoic acid methyl ester IUPAC Name: methyl 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-7-hydroxyoct-2-ynoate Traditional Name: 8-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-7-hydroxy-oct-2-ynoic acid methyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC(CCCC#CC(=O)OC)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC(CCCC#CC(=O)OC)O)OC

InChI

InChI=1S/C20H25NO5/c1-24-18-11-14-9-10-21-17(16(14)13-19(18)25-2)12-15(22)7-5-4-6-8-20(23)26-3/h11,13,15,22H,4-5,7,9-10,12H2,1-3H3