[3-[iodanyl(pentanoyloxy)methyl]-1-methyl-2-oxidanylidene-quinolin-4-yl] pentanoate

Systemtic Name: [3-[iodanyl(pentanoyloxy)methyl]-1-methyl-2-oxidanylidene-quinolin-4-yl] pentanoate Openeye Name: [3-[iodo(pentanoyloxy)methyl]-1-methyl-2-oxo-4-quinolyl] pentanoate CAS Name: pentanoic acid [3-[iodo(1-oxopentoxy)methyl]-1-methyl-2-oxo-4-quinolinyl] ester IUPAC Name: [3-[iodo(pentanoyloxy)methyl]-1-methyl-2-oxoquinolin-4-yl] pentanoate Traditional Name: valeric acid [3-[iodo(valeryloxy)methyl]-2-keto-1-methyl-4-quinolyl] ester Formula: C21H26INO5 MolecularWeight: 499.33931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)C(OC(=O)CCCC)I

Isomeric SMILES

CCCCC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)C(OC(=O)CCCC)I

InChI

InChI=1S/C21H26INO5/c1-4-6-12-16(24)27-19-14-10-8-9-11-15(14)23(3)21(26)18(19)20(22)28-17(25)13-7-5-2/h8-11,20H,4-7,12-13H2,1-3H3