4-[[[2-methyl-1-(phenylcarbonyloxy)propoxy]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2-methyl-1-(phenylcarbonyloxy)propoxy]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(1-benzoyloxy-2-methyl-propoxy)carbonylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(1-benzoyloxy-2-methylpropoxy)-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(1-benzoyloxy-2-methylpropoxy)carbonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(1-benzoyloxy-2-methyl-propoxy)carbonylamino]methyl]cyclohexanecarboxylic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)C1=CC=CC=C1)OC(=O)NCC2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)C(OC(=O)C1=CC=CC=C1)OC(=O)NCC2CCC(CC2)C(=O)O

InChI

InChI=1S/C20H27NO6/c1-13(2)19(26-18(24)16-6-4-3-5-7-16)27-20(25)21-12-14-8-10-15(11-9-14)17(22)23/h3-7,13-15,19H,8-12H2,1-2H3,(H,21,25)(H,22,23)