[3-methyl-2-(1-oxidanylnon-2-ynyl)quinolin-4-yl] ethanoate

Systemtic Name: [3-methyl-2-(1-oxidanylnon-2-ynyl)quinolin-4-yl] ethanoate Openeye Name: [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolyl] acetate CAS Name: acetic acid [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolinyl] ester IUPAC Name: [2-(1-hydroxynon-2-ynyl)-3-methylquinolin-4-yl] acetate Traditional Name: acetic acid [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(C1=NC2=CC=CC=C2C(=C1C)OC(=O)C)O

Isomeric SMILES

CCCCCCC#CC(C1=NC2=CC=CC=C2C(=C1C)OC(=O)C)O

InChI

InChI=1S/C21H25NO3/c1-4-5-6-7-8-9-14-19(24)20-15(2)21(25-16(3)23)17-12-10-11-13-18(17)22-20/h10-13,19,24H,4-8H2,1-3H3