3-[6-oxidanylidene-6-phenylmethoxy-2-(quinolin-2-ylcarbamoylamino)hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[6-oxidanylidene-6-phenylmethoxy-2-(quinolin-2-ylcarbamoylamino)hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[6-benzyloxy-6-oxo-2-(2-quinolylcarbamoylamino)hexanoyl]oxyhexadecanoic acid CAS Name: 3-[1,6-dioxo-2-[[oxo-(2-quinolinylamino)methyl]amino]-6-phenylmethoxyhexoxy]hexadecanoic acid IUPAC Name: 3-[6-oxo-6-phenylmethoxy-2-(quinolin-2-ylcarbamoylamino)hexanoyl]oxyhexadecanoic acid Traditional Name: 3-[6-benzoxy-6-keto-2-(2-quinolylcarbamoylamino)hexanoyl]oxypalmitic acid Formula: C39H53N3O7 MolecularWeight: 675.85402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C39H53N3O7/c1-2-3-4-5-6-7-8-9-10-11-15-22-32(28-36(43)44)49-38(46)34(24-18-25-37(45)48-29-30-19-13-12-14-20-30)41-39(47)42-35-27-26-31-21-16-17-23-33(31)40-35/h12-14,16-17,19-21,23,26-27,32,34H,2-11,15,18,22,24-25,28-29H2,1H3,(H,43,44)(H2,40,41,42,47)