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

Systemtic Name: phenacyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(octadecanoylamino)benzoate Openeye Name: phenacyl 3-(tert-butoxycarbonylamino)-5-(octadecanoylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(1-oxooctadecylamino)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(octadecanoylamino)benzoate Traditional Name: 3-(tert-butoxycarbonylamino)-5-stearamido-benzoic acid phenacyl ester Formula: C38H56N2O6 MolecularWeight: 636.86104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-35(42)39-32-26-31(27-33(28-32)40-37(44)46-38(2,3)4)36(43)45-29-34(41)30-23-20-19-21-24-30/h19-21,23-24,26-28H,5-18,22,25,29H2,1-4H3,(H,39,42)(H,40,44)