(3-methyl-2-non-2-ynyl-5-oxidanylidene-1H-quinolin-4-yl) ethanoate

Systemtic Name: (3-methyl-2-non-2-ynyl-5-oxidanylidene-1H-quinolin-4-yl) ethanoate Openeye Name: (3-methyl-2-non-2-ynyl-5-oxo-1H-quinolin-4-yl) acetate CAS Name: acetic acid (3-methyl-2-non-2-ynyl-5-oxo-1H-quinolin-4-yl) ester IUPAC Name: (3-methyl-2-non-2-ynyl-5-oxo-1H-quinolin-4-yl) acetate Traditional Name: acetic acid (5-keto-3-methyl-2-non-2-ynyl-1H-quinolin-4-yl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCC1=C(C(=C2C(=O)C=CC=C2N1)OC(=O)C)C

Isomeric SMILES

CCCCCCC#CCC1=C(C(=C2C(=O)C=CC=C2N1)OC(=O)C)C

InChI

InChI=1S/C21H25NO3/c1-4-5-6-7-8-9-10-12-17-15(2)21(25-16(3)23)20-18(22-17)13-11-14-19(20)24/h11,13-14,22H,4-8,12H2,1-3H3