(1S,2R)-2-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C20H28N2O5/c1-3-13(2)14-8-6-7-11-17(14)27-12-18(23)21-22-19(24)15-9-4-5-10-16(15)20(25)26/h6-8,11,13,15-16H,3-5,9-10,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/t13?,15-,16+/m1/s1