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

Systemtic Name: [3-methyl-2-(1-oxidanylnon-2-ynyl)quinolin-4-yl] butanoate Openeye Name: [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolyl] butanoate CAS Name: butanoic acid [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolinyl] ester IUPAC Name: [2-(1-hydroxynon-2-ynyl)-3-methylquinolin-4-yl] butanoate Traditional Name: butyric acid [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolyl] ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3/c1-4-6-7-8-9-10-16-20(25)22-17(3)23(27-21(26)13-5-2)18-14-11-12-15-19(18)24-22/h11-12,14-15,20,25H,4-9,13H2,1-3H3