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

Systemtic Name: 3-[6-oxidanylidene-6-phenylmethoxy-2-(quinolin-3-ylcarbamoylamino)hexanoyl]oxyhexadecanoate Openeye Name: 3-[6-benzyloxy-6-oxo-2-(3-quinolylcarbamoylamino)hexanoyl]oxyhexadecanoate CAS Name: 3-[1,6-dioxo-2-[[oxo-(3-quinolinylamino)methyl]amino]-6-phenylmethoxyhexoxy]hexadecanoate IUPAC Name: 3-[6-oxo-6-phenylmethoxy-2-(quinolin-3-ylcarbamoylamino)hexanoyl]oxyhexadecanoate Traditional Name: 3-[6-benzoxy-6-keto-2-(3-quinolylcarbamoylamino)hexanoyl]oxypalmitate Formula: C39H52N3O7- MolecularWeight: 674.84608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)[O-])OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)[O-])OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC3=CC=CC=C3N=C2

InChI

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