O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(quinolin-3-ylcarbamoylamino)hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(quinolin-3-ylcarbamoylamino)hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-(3-quinolylcarbamoylamino)hexanedioate CAS Name: 2-[[oxo-(3-quinolinylamino)methyl]amino]hexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-(quinolin-3-ylcarbamoylamino)hexanedioate Traditional Name: 2-(3-quinolylcarbamoylamino)adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C39H51N3O7 MolecularWeight: 673.83814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)OC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)OC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C39H51N3O7/c43-27-18-11-9-7-5-3-1-2-4-6-8-10-15-25-37(45)49-38(46)35(24-19-26-36(44)48-30-31-20-13-12-14-21-31)42-39(47)41-33-28-32-22-16-17-23-34(32)40-29-33/h12-14,16-17,20-23,27-29,35H,1-11,15,18-19,24-26,30H2,(H2,41,42,47)