[1-(4,8-dimethoxy-1-methyl-2-oxidanylidene-quinolin-3-yl)-3-methyl-but-3-en-2-yl] hexadecanoate

Systemtic Name: [1-(4,8-dimethoxy-1-methyl-2-oxidanylidene-quinolin-3-yl)-3-methyl-but-3-en-2-yl] hexadecanoate Openeye Name: [1-[(4,8-dimethoxy-1-methyl-2-oxo-3-quinolyl)methyl]-2-methyl-allyl] hexadecanoate CAS Name: hexadecanoic acid [1-(4,8-dimethoxy-1-methyl-2-oxo-3-quinolinyl)-3-methylbut-3-en-2-yl] ester IUPAC Name: [1-(4,8-dimethoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl] hexadecanoate Traditional Name: palmitic acid [1-[(2-keto-4,8-dimethoxy-1-methyl-3-quinolyl)methyl]-2-methyl-allyl] ester Formula: C33H51NO5 MolecularWeight: 541.76174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CC1=C(C2=C(C(=CC=C2)OC)N(C1=O)C)OC)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CC1=C(C2=C(C(=CC=C2)OC)N(C1=O)C)OC)C(=C)C

InChI

InChI=1S/C33H51NO5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30(35)39-29(25(2)3)24-27-32(38-6)26-21-20-22-28(37-5)31(26)34(4)33(27)36/h20-22,29H,2,7-19,23-24H2,1,3-6H3