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

Systemtic Name: (1R,2S)-2-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamoyl]cyclohexanecarboxylate Formula: C17H20BrN2O5- MolecularWeight: 412.2551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5/c1-10-6-7-14(13(18)8-10)25-9-15(21)19-20-16(22)11-4-2-3-5-12(11)17(23)24/h6-8,11-12H,2-5,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t11-,12+/m0/s1