[3-ethyl-2-[(E)-non-2-enyl]quinolin-4-yl] ethanoate; [3-methyl-2-(1-oxidanylnon-2-ynyl)quinolin-4-yl] butanoate

Systemtic Name: [3-ethyl-2-[(E)-non-2-enyl]quinolin-4-yl] ethanoate; [3-methyl-2-(1-oxidanylnon-2-ynyl)quinolin-4-yl] butanoate Openeye Name: [3-ethyl-2-[(E)-non-2-enyl]-4-quinolyl] acetate; [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolyl] butanoate CAS Name: acetic acid [3-ethyl-2-[(E)-non-2-enyl]-4-quinolinyl] ester; butanoic acid [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolinyl] ester IUPAC Name: [3-ethyl-2-[(E)-non-2-enyl]quinolin-4-yl] acetate; [2-(1-hydroxynon-2-ynyl)-3-methylquinolin-4-yl] butanoate Traditional Name: acetic acid [3-ethyl-2-[(E)-non-2-enyl]-4-quinolyl] ester; butyric acid [2-(1-hydroxynon-2-ynyl)-3-methyl-4-quinolyl] ester Formula: C45H58N2O5 MolecularWeight: 706.95242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC1=NC2=CC=CC=C2C(=C1CC)OC(=O)C.CCCCCCC#CC(C1=NC2=CC=CC=C2C(=C1C)OC(=O)CCC)O

Isomeric SMILES

CCCCCC/C=C/CC1=NC2=CC=CC=C2C(=C1CC)OC(=O)C.CCCCCCC#CC(C1=NC2=CC=CC=C2C(=C1C)OC(=O)CCC)O

InChI

InChI=1S/C23H29NO3.C22H29NO2/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;1-4-6-7-8-9-10-11-15-20-18(5-2)22(25-17(3)24)19-14-12-13-16-21(19)23-20/h11-12,14-15,20,25H,4-9,13H2,1-3H3;10-14,16H,4-9,15H2,1-3H3/b;11-10+