(phenylmethyl) 5-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-(naphthalene-1-carbonylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[1-naphthalenyl(oxo)methyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(naphthalene-1-carbonylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(1-naphthoylamino)hexanoic acid benzyl ester Formula: C40H52N2O6 MolecularWeight: 656.85068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C40H52N2O6/c43-30-18-11-9-7-5-3-1-2-4-6-8-10-15-28-37(44)42-40(47)36(27-20-29-38(45)48-31-32-21-13-12-14-22-32)41-39(46)35-26-19-24-33-23-16-17-25-34(33)35/h12-14,16-17,19,21-26,30,36H,1-11,15,18,20,27-29,31H2,(H,41,46)(H,42,44,47)