phenacyl 3-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: phenacyl 3-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: phenacyl 3-(tert-butoxycarbonylamino)-5-(hexadecanoylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(1-oxohexadecylamino)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)-5-palmitamido-benzoic acid phenacyl ester Formula: C36H52N2O6 MolecularWeight: 608.80788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(40)37-30-24-29(25-31(26-30)38-35(42)44-36(2,3)4)34(41)43-27-32(39)28-21-18-17-19-22-28/h17-19,21-22,24-26H,5-16,20,23,27H2,1-4H3,(H,37,40)(H,38,42)