(phenylmethyl) 5-methyl-3-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]hexanoate

Systemtic Name: (phenylmethyl) 5-methyl-3-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]hexanoate Openeye Name: benzyl 5-methyl-3-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]hexanoate CAS Name: 5-methyl-3-[[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]methyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]hexanoate Traditional Name: 3-[(2-isobutyryloxyethoxycarbonylamino)methyl]-5-methyl-hexanoic acid benzyl ester Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OCC1=CC=CC=C1)CNC(=O)OCCOC(=O)C(C)C

Isomeric SMILES

CC(C)CC(CC(=O)OCC1=CC=CC=C1)CNC(=O)OCCOC(=O)C(C)C

InChI

InChI=1S/C22H33NO6/c1-16(2)12-19(13-20(24)29-15-18-8-6-5-7-9-18)14-23-22(26)28-11-10-27-21(25)17(3)4/h5-9,16-17,19H,10-15H2,1-4H3,(H,23,26)