(phenylmethyl) 5-[(4-methoxyphenyl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(4-methoxyphenyl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[(4-methoxybenzoyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[(4-methoxyphenyl)-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(4-methoxybenzoyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(p-anisoylamino)hexanoic acid benzyl ester Formula: C37H52N2O7 MolecularWeight: 636.81798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C37H52N2O7/c1-45-32-26-24-31(25-27-32)36(43)38-33(21-18-23-35(42)46-29-30-19-14-13-15-20-30)37(44)39-34(41)22-16-11-9-7-5-3-2-4-6-8-10-12-17-28-40/h13-15,19-20,24-28,33H,2-12,16-18,21-23,29H2,1H3,(H,38,43)(H,39,41,44)