3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-(4-phenylbutyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-1-(4-phenylbutyl)cyclohexane-1-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-hydroxy-1-(4-phenylbutyl)cyclohexanecarboxylic acid CAS Name: 2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(4-phenylbutyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(4-phenylbutyl)cyclohexane-1-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-hydroxy-1-(4-phenylbutyl)cyclohexanecarboxylic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCC(C1O)(CCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCC(C1O)(CCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H33NO5/c1-21(2,3)28-20(27)23-17-13-9-15-22(18(17)24,19(25)26)14-8-7-12-16-10-5-4-6-11-16/h4-6,10-11,17-18,24H,7-9,12-15H2,1-3H3,(H,23,27)(H,25,26)