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

Systemtic Name: ethyl 3-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: ethyl 3-(tert-butoxycarbonylamino)-5-(hexadecanoylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(1-oxohexadecylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)-5-palmitamido-benzoic acid ethyl ester Formula: C30H50N2O5 MolecularWeight: 518.7284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H50N2O5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27(33)31-25-21-24(28(34)36-7-2)22-26(23-25)32-29(35)37-30(3,4)5/h21-23H,6-20H2,1-5H3,(H,31,33)(H,32,35)