(1S,2R)-2-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylic acid Formula: C18H23BrN2O5 MolecularWeight: 427.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=O)C2CCCCC2C(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)Br

InChI

InChI=1S/C18H23BrN2O5/c1-2-11-7-8-15(14(19)9-11)26-10-16(22)20-21-17(23)12-5-3-4-6-13(12)18(24)25/h7-9,12-13H,2-6,10H2,1H3,(H,20,22)(H,21,23)(H,24,25)/t12-,13+/m1/s1