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

Systemtic Name: (1S,2R)-2-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylic acid Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C17H21BrN2O5/c1-10-8-11(18)6-7-14(10)25-9-15(21)19-20-16(22)12-4-2-3-5-13(12)17(23)24/h6-8,12-13H,2-5,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t12-,13+/m1/s1