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

Systemtic Name: 4-[[(2-methyl-1-pentanoyloxy-propoxy)carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(2-methyl-1-pentanoyloxy-propoxy)carbonylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[2-methyl-1-(1-oxopentoxy)propoxy]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(2-methyl-1-pentanoyloxypropoxy)carbonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(2-methyl-1-valeryloxy-propoxy)carbonylamino]methyl]cyclohexanecarboxylic acid Formula: C18H31NO6 MolecularWeight: 357.44184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C(C)C)OC(=O)NCC1CCC(CC1)C(=O)O

Isomeric SMILES

CCCCC(=O)OC(C(C)C)OC(=O)NCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C18H31NO6/c1-4-5-6-15(20)24-17(12(2)3)25-18(23)19-11-13-7-9-14(10-8-13)16(21)22/h12-14,17H,4-11H2,1-3H3,(H,19,23)(H,21,22)